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89846-75-3 | Benzoic acid, 4-[[(4-nitrophenyl)amino]carbonyl]-, methyl ester
CAS No: 89846-75-3 Catalog No: AG003XGJ MDL No:
Product Description
Catalog Number:
AG003XGJ
Chemical Name:
Benzoic acid, 4-[[(4-nitrophenyl)amino]carbonyl]-, methyl ester
CAS Number:
89846-75-3
Molecular Formula:
C15H12N2O5
Molecular Weight:
300.2662
IUPAC Name:
methyl 4-[(4-nitrophenyl)carbamoyl]benzoate
InChI:
InChI=1S/C15H12N2O5/c1-22-15(19)11-4-2-10(3-5-11)14(18)16-12-6-8-13(9-7-12)17(20)21/h2-9H,1H3,(H,16,18)
InChI Key:
BLVRMPAIJHFKRN-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.075g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.27g/mol
Monoisotopic Mass:
300.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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