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Home > Boronic Acids > 1072946-04-3
1072946-04-3 | (3-((3-Chloro-4-fluorophenyl);carbamoyl);phenyl);boronic acid
CAS No: 1072946-04-3 Catalog No: AG003BPY MDL No:MFCD09972110
Product Description
Catalog Number:
AG003BPY
Chemical Name:
(3-((3-Chloro-4-fluorophenyl);carbamoyl);phenyl);boronic acid
CAS Number:
1072946-04-3
Molecular Formula:
C13H10BClFNO3
Molecular Weight:
293.4858
MDL Number:
MFCD09972110
IUPAC Name:
[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C13H10BClFNO3/c15-11-7-10(4-5-12(11)16)17-13(18)8-2-1-3-9(6-8)14(19)20/h1-7,19-20H,(H,17,18)
InChI Key:
RSMFAQCLGXKQAT-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)C(=O)Nc1ccc(c(c1)Cl)F)O
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.043g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
293.485g/mol
Monoisotopic Mass:
293.043g/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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