CAS
723282-09-5 Purity
97%
723282-09-5 Purity
97%
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3-(3,5-dichlorophenylcarbamoyl)-4-fluorophenylboronic acid
CAS
1451393-28-4
Catalog Number
ACM1451393284
Category
Boronic Acids
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What is the molecular formula of the compound?
The molecular formula of the compound is C13H9BCl2FNO3.
What is the molecular weight of the compound?
The molecular weight of the compound is 327.9 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is [3-[(3,5-dichlorophenyl)carbamoyl]-4-fluorophenyl]boronic acid.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C13H9BCl2FNO3/c15-8-4-9(16)6-10(5-8)18-13(19)11-3-7(14(20)21)1-2-12(11)17/h1-6,20-21H,(H,18,19).
What is the InChIKey of the compound?
The InChIKey of the compound is HRLQHZOOWBUTLV-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is B(C1=CC(=C(C=C1)F)C(=O)NC2=CC(=CC(=C2)Cl)Cl)(O)O.
What is the CAS number of the compound?
The CAS number of the compound is 1451393-28-4.
How many hydrogen bond donor counts does the compound have?
The compound has 3 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
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