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Home > Boronic Acids > 871332-76-2
871332-76-2 | (4-Chloro-3-(dimethylcarbamoyl);phenyl);boronic acid
CAS No: 871332-76-2 Catalog No: AG004OT0 MDL No:MFCD07783868
Product Description
Catalog Number:
AG004OT0
Chemical Name:
(4-Chloro-3-(dimethylcarbamoyl);phenyl);boronic acid
CAS Number:
871332-76-2
Molecular Formula:
C9H11BClNO3
Molecular Weight:
227.4525
MDL Number:
MFCD07783868
IUPAC Name:
[4-chloro-3-(dimethylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C9H11BClNO3/c1-12(2)9(13)7-5-6(10(14)15)3-4-8(7)11/h3-5,14-15H,1-2H3
InChI Key:
ZTPXXLBYJKNIDH-UHFFFAOYSA-N
SMILES:
CN(C(=O)c1cc(ccc1Cl)B(O)O)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.052g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.451g/mol
Monoisotopic Mass:
227.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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