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Home > Boronic Acids > 957120-53-5
957120-53-5 | (3-Carbamoyl-5-chlorophenyl)boronic acid
CAS No: 957120-53-5 Catalog No: AG0036W4 MDL No:MFCD09800858
Product Description
Catalog Number:
AG0036W4
Chemical Name:
(3-Carbamoyl-5-chlorophenyl)boronic acid
CAS Number:
957120-53-5
Molecular Formula:
C7H7BClNO3
Molecular Weight:
199.3994
MDL Number:
MFCD09800858
IUPAC Name:
(3-carbamoyl-5-chlorophenyl)boronic acid
InChI:
InChI=1S/C7H7BClNO3/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,12-13H,(H2,10,11)
InChI Key:
YFWFJKMZBNMWMC-UHFFFAOYSA-N
SMILES:
Clc1cc(cc(c1)C(=O)N)B(O)O
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.021g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
199.397g/mol
Monoisotopic Mass:
199.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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