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Home > Boronic Acids > 913835-39-9
913835-39-9 | (4-((2-Chloro-4-methylphenyl)carbamoyl)phenyl)boronic acid
CAS No: 913835-39-9 Catalog No: AG006NKO MDL No:MFCD09027213
Product Description
Catalog Number:
AG006NKO
Chemical Name:
(4-((2-Chloro-4-methylphenyl)carbamoyl)phenyl)boronic acid
CAS Number:
913835-39-9
Molecular Formula:
C14H13BClNO3
Molecular Weight:
289.5219
MDL Number:
MFCD09027213
IUPAC Name:
[4-[(2-chloro-4-methylphenyl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C14H13BClNO3/c1-9-2-7-13(12(16)8-9)17-14(18)10-3-5-11(6-4-10)15(19)20/h2-8,19-20H,1H3,(H,17,18)
InChI Key:
OLWULFVOADOJBR-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)Cl)NC(=O)c1ccc(cc1)B(O)O
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.068g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
289.522g/mol
Monoisotopic Mass:
289.068g/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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