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Home > Boronic Acids > 874287-99-7
874287-99-7 | (4-((4-Bromophenyl);carbamoyl);phenyl);boronic acid
CAS No: 874287-99-7 Catalog No: AG003SO4 MDL No:MFCD09027201
Product Description
Catalog Number:
AG003SO4
Chemical Name:
(4-((4-Bromophenyl);carbamoyl);phenyl);boronic acid
CAS Number:
874287-99-7
Molecular Formula:
C13H11BBrNO3
Molecular Weight:
319.9463
MDL Number:
MFCD09027201
IUPAC Name:
[4-[(4-bromophenyl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C13H11BBrNO3/c15-11-5-7-12(8-6-11)16-13(17)9-1-3-10(4-2-9)14(18)19/h1-8,18-19H,(H,16,17)
InChI Key:
FBTLHSKBTDKVGQ-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)NC(=O)c1ccc(cc1)B(O)O
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.002g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
319.949g/mol
Monoisotopic Mass:
319.002g/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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