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13142-97-7 | Benzoic acid, 4-[[(phenylamino)carbonyl]amino]-, ethyl ester
CAS No: 13142-97-7 Catalog No: AG000W58 MDL No:MFCD00414507
Product Description
Catalog Number:
AG000W58
Chemical Name:
Benzoic acid, 4-[[(phenylamino)carbonyl]amino]-, ethyl ester
CAS Number:
13142-97-7
Molecular Formula:
C16H16N2O3
Molecular Weight:
284.3098
MDL Number:
MFCD00414507
IUPAC Name:
ethyl 4-(phenylcarbamoylamino)benzoate
InChI:
InChI=1S/C16H16N2O3/c1-2-21-15(19)12-8-10-14(11-9-12)18-16(20)17-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H2,17,18,20)
InChI Key:
ZQQOCJVXRQETBR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)NC(=O)Nc1ccccc1
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.315g/mol
Monoisotopic Mass:
284.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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