CAS
938458-77-6 Purity
96%
938458-77-6 Purity
96%
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5-Bromo-2-pyridin-3-yl-1,3-benzoxazole
CAS
938458-81-2
Catalog Number
ACM938458812
Category
Other Products
Molecular Weight
275.100780 [g/mol]
Molecular Formula
C12H7BrN2O
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Specification
Synonyms
Ambcb4002142, MolPort-008-720-885, ZINC19087835, AK-99324, 5-Bromo-2-(pyridin-3-yl)benzo[d]oxazole, 938458-81-2
IUPAC Name
5-bromo-2-pyridin-3-yl-1,3-benzoxazole
Canonical SMILES
C1=CC(=CN=C1)C2=NC3=C(O2)C=CC(=C3)Br
InChI Key
XXVXIUHYSJGBIB-UHFFFAOYSA-N
Boiling Point
374.5ºC at 760 mmHg
Flash Point
180.3ºC
Density
1.578g/cm³
Exact Mass
273.97400
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 5-Bromo-2-pyridin-3-yl-1,3-benzoxazole?
The molecular formula is C12H7BrN2O.
What is the molecular weight of 5-Bromo-2-pyridin-3-yl-1,3-benzoxazole?
The molecular weight is 275.10 g/mol.
What is the IUPAC name of 5-Bromo-2-pyridin-3-yl-1,3-benzoxazole?
The IUPAC name is 5-bromo-2-pyridin-3-yl-1,3-benzoxazole.
What is the InChI key of 5-Bromo-2-pyridin-3-yl-1,3-benzoxazole?
The InChI key is XXVXIUHYSJGBIB-UHFFFAOYSA-N.
What is the canonical SMILES of 5-Bromo-2-pyridin-3-yl-1,3-benzoxazole?
The canonical SMILES is C1=CC(=CN=C1)C2=NC3=C(O2)C=CC(=C3)Br.
How many hydrogen bond donor counts does 5-Bromo-2-pyridin-3-yl-1,3-benzoxazole have?
It has 0 hydrogen bond donor count.
How many hydrogen bond acceptor counts does 5-Bromo-2-pyridin-3-yl-1,3-benzoxazole have?
It has 3 hydrogen bond acceptor counts.
What is the topological polar surface area of 5-Bromo-2-pyridin-3-yl-1,3-benzoxazole?
The topological polar surface area is 38.9 Ų.
Does 5-Bromo-2-pyridin-3-yl-1,3-benzoxazole have any defined atom stereocenter count?
No, it does not have any defined atom stereocenter count.
Is the compound canonicalized according to PubChem?
Yes, the compound is canonicalized according to PubChem.
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