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Home > Boronic Acids > 913835-40-2
913835-40-2 | 4-(2,5-DIMETHYLPHENYLCARBAMOYL)PHENYLBORONIC ACID
CAS No: 913835-40-2 Catalog No: AG00GTD6 MDL No:MFCD09027214
Product Description
Catalog Number:
AG00GTD6
Chemical Name:
4-(2,5-DIMETHYLPHENYLCARBAMOYL)PHENYLBORONIC ACID
CAS Number:
913835-40-2
Molecular Formula:
C15H16BNO3
Molecular Weight:
269.1034
MDL Number:
MFCD09027214
IUPAC Name:
[4-[(2,5-dimethylphenyl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C15H16BNO3/c1-10-3-4-11(2)14(9-10)17-15(18)12-5-7-13(8-6-12)16(19)20/h3-9,19-20H,1-2H3,(H,17,18)
InChI Key:
HCANATQAPBZHDY-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)NC(=O)c1ccc(cc1)B(O)O)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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