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330793-45-8 | (4-(Phenylcarbamoyl)phenyl)boronic acid
CAS No: 330793-45-8 Catalog No: AG007HG1 MDL No:MFCD04115683
Product Description
Catalog Number:
AG007HG1
Chemical Name:
(4-(Phenylcarbamoyl)phenyl)boronic acid
CAS Number:
330793-45-8
Molecular Formula:
C13H12BNO3
Molecular Weight:
241.0503
MDL Number:
MFCD04115683
IUPAC Name:
[4-(phenylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C13H12BNO3/c16-13(15-12-4-2-1-3-5-12)10-6-8-11(9-7-10)14(17)18/h1-9,17-18H,(H,15,16)
InChI Key:
DAUSGSRIYCUJDK-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(=O)Nc1ccccc1)O
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.091g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
241.053g/mol
Monoisotopic Mass:
241.091g/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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