CAS
156487-13-7 Purity
95%
156487-13-7 Purity
95%
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3,4-Difluoro-2-isopropoxyphenylboronic acid
CAS
1451390-92-3
Catalog Number
ACM1451390923
Category
Boronic Acids
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What is the molecular formula of the compound?
The molecular formula of the compound is C9H11BF2O3.
What is the molecular weight of the compound?
The molecular weight of the compound is 215.99 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is (3,4-difluoro-2-propan-2-yloxyphenyl)boronic acid.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C9H11BF2O3/c1-5(2)15-9-6(10(13)14)3-4-7(11)8(9)12/h3-5,13-14H,1-2H3.
What is the InChIKey of the compound?
The InChIKey of the compound is WJQIJLJPCDRBSG-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is B(C1=C(C(=C(C=C1)F)F)OC(C)C)(O)O.
What is the hydrogen bond donor count of the compound?
The hydrogen bond donor count of the compound is 2.
What is the hydrogen bond acceptor count of the compound?
The hydrogen bond acceptor count of the compound is 5.
How many rotatable bonds does the compound have?
The compound has 3 rotatable bonds.
How many heavy atoms are present in the compound?
There are 15 heavy atoms present in the compound.
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