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2069-51-4

2069-51-4 | Benzenamine, N-(4-chlorophenyl)-2-nitro-4-[(trifluoromethyl)sulfonyl]-

CAS No: 2069-51-4 Catalog No: AG002IR7 MDL No:

Product Description

Catalog Number:
AG002IR7
Chemical Name:
Benzenamine, N-(4-chlorophenyl)-2-nitro-4-[(trifluoromethyl)sulfonyl]-
CAS Number:
2069-51-4
Molecular Formula:
C13H8ClF3N2O4S
Molecular Weight:
380.7268
IUPAC Name:
N-(4-chlorophenyl)-2-nitro-4-(trifluoromethylsulfonyl)aniline
InChI:
InChI=1S/C13H8ClF3N2O4S/c14-8-1-3-9(4-2-8)18-11-6-5-10(7-12(11)19(20)21)24(22,23)13(15,16)17/h1-7,18H
InChI Key:
JUWVQFJIHXBYOU-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Nc1ccc(cc1[N+](=O)[O-])S(=O)(=O)C(F)(F)F

Properties

Complexity:
553  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.985g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
380.722g/mol
Monoisotopic Mass:
379.985g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  

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