CAS 25487-66-5 | 3-Boronobenzoic acid | CAS Number 25487-66-5

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25487-66-5 | 3-Boronobenzoic acid

CAS No: 25487-66-5 Catalog No: AG003J5Y MDL No:MFCD00036833

Product Description

Catalog Number:

AG003J5Y

Chemical Name:

3-Boronobenzoic acid

CAS Number:

25487-66-5

Molecular Formula:

C7H7BO4

Molecular Weight:

165.9391

MDL Number:

MFCD00036833

IUPAC Name:

3-boronobenzoic acid

InChI:

InChI=1S/C7H7BO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,11-12H,(H,9,10)

InChI Key:

DBVFWZMQJQMJCB-UHFFFAOYSA-N

SMILES:

OB(c1cccc(c1)C(=O)O)O

Properties

Complexity:

171

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

166.044g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

165.939g/mol

Monoisotopic Mass:

166.044g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
Expanding the diversity of allosteric bcr-abl inhibitors.	Journal of medicinal chemistry 20101014
Inhibitors of bacterial N-succinyl-L,L-diaminopimelic acid desuccinylase (DapE) and demonstration of in vitro antimicrobial activity.	Bioorganic & medicinal chemistry letters 20091115
Synthesis and evaluation of 3-(dihydroxyboryl)benzoic acids as D,D-carboxypeptidase R39 inhibitors.	Journal of medicinal chemistry 20091008