Home Halogens 3-Chloro-5-nitrobenzotrifluoride

3-Chloro-5-nitrobenzotrifluoride

CAS No.:
401-93-4
Catalog Number:
AG00I7V7
Molecular Formula:
C7H3ClF3NO2
Molecular Weight:
225.5524
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$33
- +
5g
97%
In Stock USA
United States
$95
- +
10g
97%
In Stock USA
United States
$175
- +
25g
97%
In Stock USA
United States
$325
- +
100g
97%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG00I7V7
Chemical Name:
3-Chloro-5-nitrobenzotrifluoride
CAS Number:
401-93-4
Molecular Formula:
C7H3ClF3NO2
Molecular Weight:
225.5524
MDL Number:
MFCD03412202
IUPAC Name:
1-chloro-3-nitro-5-(trifluoromethyl)benzene
InChI:
InChI=1S/C7H3ClF3NO2/c8-5-1-4(7(9,10)11)2-6(3-5)12(13)14/h1-3H
InChI Key:
ZQXCQTAELHSNAT-UHFFFAOYSA-N
SMILES:
Clc1cc(cc(c1)C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.98g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.551g/mol
Monoisotopic Mass:
224.98g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties