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138745-88-7 | Benzoic acid, 4-[(2-nitrophenyl)amino]-, ethyl ester
CAS No: 138745-88-7 Catalog No: AG0019H5 MDL No:
Product Description
Catalog Number:
AG0019H5
Chemical Name:
Benzoic acid, 4-[(2-nitrophenyl)amino]-, ethyl ester
CAS Number:
138745-88-7
Molecular Formula:
C15H14N2O4
Molecular Weight:
286.2827
IUPAC Name:
ethyl 4-(2-nitroanilino)benzoate
InChI:
InChI=1S/C15H14N2O4/c1-2-21-15(18)11-7-9-12(10-8-11)16-13-5-3-4-6-14(13)17(19)20/h3-10,16H,2H2,1H3
InChI Key:
JSJMEIPLHVMQPA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)Nc1ccccc1[N+](=O)[O-]
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.287g/mol
Monoisotopic Mass:
286.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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