CAS
870777-18-7 Purity
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870777-18-7 Purity
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3-(4-Bromo-2,6-dimethylphenylcarbamoyl)-4-fluorophenylboronic acid
CAS
1451391-49-3
Catalog Number
ACM1451391493
Category
Boronic Acids
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What is the molecular formula of the compound being referred to?
The molecular formula is C15H14BBrFNO3.
What is the molecular weight of the compound?
The molecular weight is 365.99 g/mol.
When was the compound created and modified?
The compound was created on August 8, 2012, and last modified on December 2, 2023.
What is the IUPAC name of the compound?
The IUPAC name of the compound is [3-[(4-bromo-2,6-dimethylphenyl)carbamoyl]-4-fluorophenyl]boronic acid.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C15H14BBrFNO3/c1-8-5-11(17)6-9(2)14(8)19-15(20)12-7-10(16(21)22)3-4-13(12)18/h3-7,21-22H,1-2H3,(H,19,20).
What is the InChIKey of the compound?
The InChIKey of the compound is ASIMBKCICLAHPI-UHFFFAOYSA-N.
What is the canonical SMILES representation of the compound?
The canonical SMILES representation of the compound is B(C1=CC(=C(C=C1)F)C(=O)NC2=C(C=C(C=C2C)Br)C)(O)O.
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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