Home Halogens 2-Methyl-4-nitrobenzotrifluoride

2-Methyl-4-nitrobenzotrifluoride

CAS No.:
1960-52-7
Catalog Number:
AG00ACWA
Molecular Formula:
C8H6F3NO2
Molecular Weight:
205.1339
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$77
- +
1g
97%
1 week
United States
$153
- +
Product Description
Catalog Number:
AG00ACWA
Chemical Name:
2-Methyl-4-nitrobenzotrifluoride
CAS Number:
1960-52-7
Molecular Formula:
C8H6F3NO2
Molecular Weight:
205.1339
MDL Number:
MFCD11226539
IUPAC Name:
2-methyl-4-nitro-1-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H6F3NO2/c1-5-4-6(12(13)14)2-3-7(5)8(9,10)11/h2-4H,1H3
InChI Key:
NWCDDUFGSQYJRM-UHFFFAOYSA-N
SMILES:
Cc1cc(ccc1C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.035g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.136g/mol
Monoisotopic Mass:
205.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties