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Home > Boronic Acids > 871332-69-3
871332-69-3 | (4-Chloro-3-(ethylcarbamoyl);phenyl);boronic acid
CAS No: 871332-69-3 Catalog No: AG004OT3 MDL No:MFCD07783861
Product Description
Catalog Number:
AG004OT3
Chemical Name:
(4-Chloro-3-(ethylcarbamoyl);phenyl);boronic acid
CAS Number:
871332-69-3
Molecular Formula:
C9H11BClNO3
Molecular Weight:
227.4525
MDL Number:
MFCD07783861
IUPAC Name:
[4-chloro-3-(ethylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C9H11BClNO3/c1-2-12-9(13)7-5-6(10(14)15)3-4-8(7)11/h3-5,14-15H,2H2,1H3,(H,12,13)
InChI Key:
YMJAUMCTGHBWQK-UHFFFAOYSA-N
SMILES:
CCNC(=O)c1cc(ccc1Cl)B(O)O
Properties
Complexity:
227
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:
3
Isotope Atom Count:
0
Molecular Weight:
227.451g/mol
Monoisotopic Mass:
227.052g/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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