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83487-98-3 | Benzamide,4-chloro-3-nitro-N-(2,4,5-trichlorophenyl)-
CAS No: 83487-98-3 Catalog No: AG004RCP MDL No:
Product Description
Catalog Number:
AG004RCP
Chemical Name:
Benzamide,4-chloro-3-nitro-N-(2,4,5-trichlorophenyl)-
CAS Number:
83487-98-3
Molecular Formula:
C13H6Cl4N2O3
Molecular Weight:
380.0103
IUPAC Name:
4-chloro-3-nitro-N-(2,4,5-trichlorophenyl)benzamide
InChI:
InChI=1S/C13H6Cl4N2O3/c14-7-2-1-6(3-12(7)19(21)22)13(20)18-11-5-9(16)8(15)4-10(11)17/h1-5H,(H,18,20)
InChI Key:
CMOOHRSXPUWGIQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)[N+](=O)[O-])Cl)Nc1cc(Cl)c(cc1Cl)Cl
EC Number:
280-460-9
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.91g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.002g/mol
Monoisotopic Mass:
377.913g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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