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Home > Boronic Acids > 913835-36-6
913835-36-6 | 4-(2,3-Dimethylphenylcarbamoyl);phenylboronic acid
CAS No: 913835-36-6 Catalog No: AG003S7O MDL No:MFCD09027210
Product Description
Catalog Number:
AG003S7O
Chemical Name:
4-(2,3-Dimethylphenylcarbamoyl);phenylboronic acid
CAS Number:
913835-36-6
Molecular Formula:
C15H16BNO3
Molecular Weight:
269.1034
MDL Number:
MFCD09027210
IUPAC Name:
[4-[(2,3-dimethylphenyl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C15H16BNO3/c1-10-4-3-5-14(11(10)2)17-15(18)12-6-8-13(9-7-12)16(19)20/h3-9,19-20H,1-2H3,(H,17,18)
InChI Key:
XMQJSFXFADVYRR-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)B(O)O)Nc1cccc(c1C)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.122g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
269.107g/mol
Monoisotopic Mass:
269.122g/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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