Benzene, 2-chloro-1-nitro-3-(trifluoromethyl)-


Chemical Name: Benzene, 2-chloro-1-nitro-3-(trifluoromethyl)-
CAS Number: 39974-35-1
Product Number: AG0076EI(AGN-PC-0KNW0L)
Synonyms:
MDL No:
Molecular Formula: C7H3ClF3NO2
Molecular Weight: 225.5524

Identification/Properties


Computed Properties
Molecular Weight:
225.551g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
224.98g/mol
Monoisotopic Mass:
224.98g/mol
Topological Polar Surface Area:
45.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
228
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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