CAS
93560-49-7 Purity
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93560-49-7 Purity
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N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzamide
CAS
935660-75-6
Catalog Number
ACM935660756
Category
Other Products
Molecular Weight
323.193880 [g/mol]
Molecular Formula
C19H22BNO3
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Specification
Synonyms
N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzamide, 935660-75-6, SureCN257797, CTK5H2663, ACT11288, ANW-59772, SBB071381, AKOS015919115, AG-L-60398, AG-L-64110, AK-37830, KB-55796, FT-0659253, Y6586, A11020, S04-0175
IUPAC Name
N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3
InChI Key
BRERQYZGASSZJR-UHFFFAOYSA-N
Exact Mass
323.16900
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C19H22BNO3.
What is the molecular weight of the compound?
The molecular weight of the compound is 323.2 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is N-[4-(4,4,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide.
What is the Canonical SMILES representation of the compound?
The Canonical SMILES representation of the compound is B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 3 hydrogen bond acceptor counts.
What is the exact mass of the compound?
The exact mass of the compound is 323.1692737 g/mol.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 47.6 Å2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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