Home Halogens 4-(3-Nitrophenyl)benzotrifluoride

4-(3-Nitrophenyl)benzotrifluoride

CAS No.:
1138479-19-2
Catalog Number:
AG0094AK
Molecular Formula:
C13H8F3NO2
Molecular Weight:
267.2033
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$150
- +
5g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG0094AK
Chemical Name:
4-(3-Nitrophenyl)benzotrifluoride
CAS Number:
1138479-19-2
Molecular Formula:
C13H8F3NO2
Molecular Weight:
267.2033
MDL Number:
MFCD21609611
IUPAC Name:
1-nitro-3-[4-(trifluoromethyl)phenyl]benzene
InChI:
InChI=1S/C13H8F3NO2/c14-13(15,16)11-6-4-9(5-7-11)10-2-1-3-12(8-10)17(18)19/h1-8H
InChI Key:
BQRBJVAJHYNPHN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.051g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.207g/mol
Monoisotopic Mass:
267.051g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Properties