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913198-24-0 | B-[4-[[(4-Methylphenyl)amino]carbonyl]phenyl]boronic acid
CAS No: 913198-24-0 Catalog No: AG00IGL9 MDL No:MFCD20527100
Product Description
Catalog Number:
AG00IGL9
Chemical Name:
B-[4-[[(4-Methylphenyl)amino]carbonyl]phenyl]boronic acid
CAS Number:
913198-24-0
Molecular Formula:
C14H14BNO3
Molecular Weight:
255.0769
MDL Number:
MFCD20527100
IUPAC Name:
[4-[(4-methylphenyl)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C14H14BNO3/c1-10-2-8-13(9-3-10)16-14(17)11-4-6-12(7-5-11)15(18)19/h2-9,18-19H,1H3,(H,16,17)
InChI Key:
RIZGBYIWLBWDNQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)NC(=O)c1ccc(cc1)B(O)O
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.107g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
255.08g/mol
Monoisotopic Mass:
255.107g/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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