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118353-04-1 | Benzenamine, 4-chloro-5-(2,3-dichlorophenoxy)-2-nitro-
CAS No: 118353-04-1 Catalog No: AG000IP3 MDL No:
Product Description
Catalog Number:
AG000IP3
Chemical Name:
Benzenamine, 4-chloro-5-(2,3-dichlorophenoxy)-2-nitro-
CAS Number:
118353-04-1
Molecular Formula:
C12H7Cl3N2O3
Molecular Weight:
333.5546
IUPAC Name:
4-chloro-5-(2,3-dichlorophenoxy)-2-nitroaniline
InChI:
InChI=1S/C12H7Cl3N2O3/c13-6-2-1-3-10(12(6)15)20-11-5-8(16)9(17(18)19)4-7(11)14/h1-5H,16H2
InChI Key:
WZFITXMPNXRORE-UHFFFAOYSA-N
SMILES:
Clc1cc([N+](=O)[O-])c(cc1Oc1cccc(c1Cl)Cl)N
EC Number:
601-520-6
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.952g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.549g/mol
Monoisotopic Mass:
331.952g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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