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87837-78-3 | Benzamide, N-[[(4-chlorophenyl)amino]carbonyl]-4-nitro-
CAS No: 87837-78-3 Catalog No: AG004JNF MDL No:
Product Description
Catalog Number:
AG004JNF
Chemical Name:
Benzamide, N-[[(4-chlorophenyl)amino]carbonyl]-4-nitro-
CAS Number:
87837-78-3
Molecular Formula:
C14H10ClN3O4
Molecular Weight:
319.6999
IUPAC Name:
N-[(4-chlorophenyl)carbamoyl]-4-nitrobenzamide
InChI:
InChI=1S/C14H10ClN3O4/c15-10-3-5-11(6-4-10)16-14(20)17-13(19)9-1-7-12(8-2-9)18(21)22/h1-8H,(H2,16,17,19,20)
InChI Key:
GBJQEBIOYMHTCP-UHFFFAOYSA-N
SMILES:
O=C(NC(=O)c1ccc(cc1)[N+](=O)[O-])Nc1ccc(cc1)Cl
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.036g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
319.701g/mol
Monoisotopic Mass:
319.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| 1-(4-Nitro-benzo-yl)-3-(4-nitro-phen-yl)-thio-urea acetone hemisolvate. | Acta crystallographica. Section E, Structure reports online 20081101 |
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