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Home > Boronic Acids > 957061-19-7
957061-19-7 | (3-Chloro-4-(cyclopentylcarbamoyl);phenyl);boronic acid
CAS No: 957061-19-7 Catalog No: AG006BS9 MDL No:MFCD09258664
Product Description
Catalog Number:
AG006BS9
Chemical Name:
(3-Chloro-4-(cyclopentylcarbamoyl);phenyl);boronic acid
CAS Number:
957061-19-7
Molecular Formula:
C12H15BClNO3
Molecular Weight:
267.5164
MDL Number:
MFCD09258664
IUPAC Name:
[3-chloro-4-(cyclopentylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C12H15BClNO3/c14-11-7-8(13(17)18)5-6-10(11)12(16)15-9-3-1-2-4-9/h5-7,9,17-18H,1-4H2,(H,15,16)
InChI Key:
ZGCZUSCEHGWQRO-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1Cl)B(O)O)NC1CCCC1
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.083g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
267.516g/mol
Monoisotopic Mass:
267.083g/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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