Home Halogens 3-Chloro-2-nitrobenzotrifluoride

3-Chloro-2-nitrobenzotrifluoride

CAS No.:
386-70-9
Catalog Number:
AG00394O
Molecular Formula:
C7H3ClF3NO2
Molecular Weight:
225.5524
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$148
- +
5g
98%
1 week
United States
$374
- +
25g
98%
1 week
United States
$1024
- +
Product Description
Catalog Number:
AG00394O
Chemical Name:
3-Chloro-2-nitrobenzotrifluoride
CAS Number:
386-70-9
Molecular Formula:
C7H3ClF3NO2
Molecular Weight:
225.5524
MDL Number:
MFCD00272563
IUPAC Name:
1-chloro-2-nitro-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C7H3ClF3NO2/c8-5-3-1-2-4(7(9,10)11)6(5)12(13)14/h1-3H
InChI Key:
ZECBOHAXBNGMSP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(Cl)cccc1C(F)(F)F
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