CAS
1451391-29-9 Purity
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1451391-29-9 Purity
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4-Carboxy-2-chloro-3-methylphenylboronic acid
CAS
1451391-31-3
Catalog Number
ACM1451391313
Category
Boronic Acids
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What is the molecular formula of 4-Carboxy-2-chloro-3-methylphenylboronic acid?
The molecular formula is C8H8BClO4.
What is the molecular weight of 4-Carboxy-2-chloro-3-methylphenylboronic acid?
The molecular weight is 214.41 g/mol.
What is the IUPAC name of 4-Carboxy-2-chloro-3-methylphenylboronic acid?
The IUPAC name is 4-borono-3-chloro-2-methylbenzoic acid.
What is the InChI of 4-Carboxy-2-chloro-3-methylphenylboronic acid?
The InChI is InChI=1S/C8H8BClO4/c1-4-5(8(11)12)2-3-6(7(4)10)9(13)14/h2-3,13-14H,1H3,(H,11,12).
What is the InChIKey of 4-Carboxy-2-chloro-3-methylphenylboronic acid?
The InChIKey is JFFNXUFLYIBJFP-UHFFFAOYSA-N.
What is the canonical SMILES of 4-Carboxy-2-chloro-3-methylphenylboronic acid?
The canonical SMILES is B(C1=C(C(=C(C=C1)C(=O)O)C)Cl)(O)O.
What is the CAS number of 4-Carboxy-2-chloro-3-methylphenylboronic acid?
The CAS number is 1451391-31-3.
What is the hydrogen bond donor count of 4-Carboxy-2-chloro-3-methylphenylboronic acid?
The hydrogen bond donor count is 3.
What is the hydrogen bond acceptor count of 4-Carboxy-2-chloro-3-methylphenylboronic acid?
The hydrogen bond acceptor count is 4.
What is the topological polar surface area of 4-Carboxy-2-chloro-3-methylphenylboronic acid?
The topological polar surface area is 77.8Ų.
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