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1313617-51-4 | Boronic acid, B-[2-(aminocarbonyl)-5-chlorophenyl]-
CAS No: 1313617-51-4 Catalog No: AG000VZL MDL No:MFCD18311844
Product Description
Catalog Number:
AG000VZL
Chemical Name:
Boronic acid, B-[2-(aminocarbonyl)-5-chlorophenyl]-
CAS Number:
1313617-51-4
Molecular Formula:
C7H7BClNO3
Molecular Weight:
199.3994
MDL Number:
MFCD18311844
IUPAC Name:
(2-carbamoyl-5-chlorophenyl)boronic acid
InChI:
InChI=1S/C7H7BClNO3/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,12-13H,(H2,10,11)
InChI Key:
ANUCOOWCIFLMDP-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)B(O)O)C(=O)N
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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