CAS
94292-03-2 Purity
96%
94292-03-2 Purity
96%
Shopping basket
Benzaldehyde,4-[1-(phenylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-
CAS
942921-70-2
Catalog Number
ACM942921702
Category
Other Products
Molecular Weight
488.363100 [g/mol]
Molecular Formula
C26H25BN2O5S
If you have any other questions or need other size, please get a quote.
- Product Description
- Case Study
- Custom Reviews
- Custom Q&A
- Synthetic Use
- Related Resources
Specification
Synonyms
942921-70-2, BENZALDEHYDE, 4-[1-(PHENYLSULFONYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLO[2,3-B]PYRIDIN-2-YL]-, KB-74910, Benzaldehyde,4-[1-(phenylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-
IUPAC Name
4-[1-(benzenesulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-2-yl]benzaldehyde
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C=C(N(C3=NC=C2)S(=O)(=O)C4=CC=CC=C4)C5=CC=C(C=C5)C=O
InChI Key
PZDSCMLVKZGLQB-UHFFFAOYSA-N
Exact Mass
488.15800
H-Bond Acceptor
6
H-Bond Donor
0
What is the molecular formula of Benzaldehyde,4-[1-(phenylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-?
The molecular formula is C26H25BN2O5S.
What is the IUPAC Name of Benzaldehyde,4-[1-(phenylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-?
The IUPAC Name is 4-[1-(benzenesulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-2-yl]benzaldehyde.
What is the InChI of Benzaldehyde,4-[1-(phenylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-?
The InChI is InChI=1S/C26H25BN2O5S/c1-25(2)26(3,4)34-27(33-25)22-14-15-28-24-21(22)16-23(19-12-10-18(17-30)11-13-19)29(24)35(31,32)20-8-6-5-7-9-20/h5-17H,1-4H3.
What is the InChIKey of Benzaldehyde,4-[1-(phenylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-?
The InChIKey is PZDSCMLVKZGLQB-UHFFFAOYSA-N.
What is the Canonical SMILES of Benzaldehyde,4-[1-(phenylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-?
The Canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=C3C=C(N(C3=NC=C2)S(=O)(=O)C4=CC=CC=C4)C5=CC=C(C=C5)C=O.
What is the molecular weight of Benzaldehyde,4-[1-(phenylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-?
The molecular weight is 488.4 g/mol.
What is the hydrogen bond donor count of Benzaldehyde,4-[1-(phenylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-?
The hydrogen bond donor count is 0.
What is the hydrogen bond acceptor count of Benzaldehyde,4-[1-(phenylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-?
The hydrogen bond acceptor count is 6.
What is the rotatable bond count of Benzaldehyde,4-[1-(phenylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-?
The rotatable bond count is 5.
Is the compound canonicalized?
Yes, the compound is canonicalized.
Please kindly note that our products are for research use only.
Recommended Products
