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Home > Boronic Acids > 874288-00-3
874288-00-3 | 4-(3-bromophenylcarbamoyl)phenylboronic acid
CAS No: 874288-00-3 Catalog No: AG01DUD0 MDL No:
Product Description
Catalog Number:
AG01DUD0
Chemical Name:
4-(3-bromophenylcarbamoyl)phenylboronic acid
CAS Number:
874288-00-3
Molecular Formula:
C13H11BBrNO3
Molecular Weight:
319.9463
IUPAC Name:
[4-[(3-bromophenyl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C13H11BBrNO3/c15-11-2-1-3-12(8-11)16-13(17)9-4-6-10(7-5-9)14(18)19/h1-8,18-19H,(H,16,17)
InChI Key:
OZMICCDGUUNEKL-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)NC(=O)c1ccc(cc1)B(O)O
Properties
Complexity:
308
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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