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Home > Boronic Acids > 1072946-02-1
1072946-02-1 | (3-((3-Chloro-2-methylphenyl)carbamoyl)phenyl)boronic acid
CAS No: 1072946-02-1 Catalog No: AG003BPX MDL No:MFCD09972109
Product Description
Catalog Number:
AG003BPX
Chemical Name:
(3-((3-Chloro-2-methylphenyl)carbamoyl)phenyl)boronic acid
CAS Number:
1072946-02-1
Molecular Formula:
C14H13BClNO3
Molecular Weight:
289.5219
MDL Number:
MFCD09972109
IUPAC Name:
[3-[(3-chloro-2-methylphenyl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C14H13BClNO3/c1-9-12(16)6-3-7-13(9)17-14(18)10-4-2-5-11(8-10)15(19)20/h2-8,19-20H,1H3,(H,17,18)
InChI Key:
DRMRZGMHJMZALJ-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)B(O)O)Nc1cccc(c1C)Cl
Properties
Complexity:
342
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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