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Home > Boronic Acids > 252663-49-3
252663-49-3 | (3-benzamidophenyl)boronic acid
CAS No: 252663-49-3 Catalog No: AG01DD1Q MDL No:MFCD22570752
Product Description
Catalog Number:
AG01DD1Q
Chemical Name:
(3-benzamidophenyl)boronic acid
CAS Number:
252663-49-3
Molecular Formula:
C13H12BNO3
Molecular Weight:
241.0503
MDL Number:
MFCD22570752
IUPAC Name:
(3-benzamidophenyl)boronic acid
InChI:
InChI=1S/C13H12BNO3/c16-13(10-5-2-1-3-6-10)15-12-8-4-7-11(9-12)14(17)18/h1-9,17-18H,(H,15,16)
InChI Key:
WYITUHAPFVNFMB-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1cccc(c1)B(O)O
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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