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397843-71-9

397843-71-9 | (3-(Phenylcarbamoyl)phenyl)boronic acid

CAS No: 397843-71-9 Catalog No: AG0038RE MDL No:MFCD04115711

Product Description

Catalog Number:
AG0038RE
Chemical Name:
(3-(Phenylcarbamoyl)phenyl)boronic acid
CAS Number:
397843-71-9
Molecular Formula:
C13H12BNO3
Molecular Weight:
241.0503
MDL Number:
MFCD04115711
IUPAC Name:
[3-(phenylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C13H12BNO3/c16-13(15-12-7-2-1-3-8-12)10-5-4-6-11(9-10)14(17)18/h1-9,17-18H,(H,15,16)
InChI Key:
ZFEJFNWZHUMGRH-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)B(O)O)Nc1ccccc1

Properties

Complexity:
279  
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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