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Home > Boronic Acids > 871332-92-2
871332-92-2 | (4-Chloro-3-(cyclohexylcarbamoyl);phenyl);boronic acid
CAS No: 871332-92-2 Catalog No: AG004KM6 MDL No:MFCD07783884
Product Description
Catalog Number:
AG004KM6
Chemical Name:
(4-Chloro-3-(cyclohexylcarbamoyl);phenyl);boronic acid
CAS Number:
871332-92-2
Molecular Formula:
C13H17BClNO3
Molecular Weight:
281.5430
MDL Number:
MFCD07783884
IUPAC Name:
[4-chloro-3-(cyclohexylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C13H17BClNO3/c15-12-7-6-9(14(18)19)8-11(12)13(17)16-10-4-2-1-3-5-10/h6-8,10,18-19H,1-5H2,(H,16,17)
InChI Key:
OWOXUFCZVBAXMX-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)C(=O)NC1CCCCC1)Cl)O
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.099g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
281.543g/mol
Monoisotopic Mass:
281.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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