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Home > Boronic Acids > 871332-94-4
871332-94-4 | (3-(Butylcarbamoyl);-4-chlorophenyl);boronic acid
CAS No: 871332-94-4 Catalog No: AG004TVC MDL No:MFCD07783886
Product Description
Catalog Number:
AG004TVC
Chemical Name:
(3-(Butylcarbamoyl);-4-chlorophenyl);boronic acid
CAS Number:
871332-94-4
Molecular Formula:
C11H15BClNO3
Molecular Weight:
255.5057
MDL Number:
MFCD07783886
IUPAC Name:
[3-(butylcarbamoyl)-4-chlorophenyl]boronic acid
InChI:
InChI=1S/C11H15BClNO3/c1-2-3-6-14-11(15)9-7-8(12(16)17)4-5-10(9)13/h4-5,7,16-17H,2-3,6H2,1H3,(H,14,15)
InChI Key:
PAXNXDXMDDBNJD-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)c1cc(ccc1Cl)B(O)O
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.083g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
255.505g/mol
Monoisotopic Mass:
255.083g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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