sales@angenesci.com
Login | Register
logo
Structures Search
Home Halogens 2-Methylbenzotrifluoride

2-Methylbenzotrifluoride

CAS No.:
13630-19-8
Catalog Number:
AG003HOS
Molecular Formula:
C8H7F3
Molecular Weight:
160.1364
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$44
- +
25g
98%
In Stock USA
United States
$119
- +
100g
98%
In Stock USA
United States
$319
- +
Product Description
Catalog Number:
AG003HOS
Chemical Name:
2-Methylbenzotrifluoride
CAS Number:
13630-19-8
Molecular Formula:
C8H7F3
Molecular Weight:
160.1364
MDL Number:
MFCD00153204
IUPAC Name:
1-methyl-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H7F3/c1-6-4-2-3-5-7(6)8(9,10)11/h2-5H,1H3
InChI Key:
DVFVNJHIVAPTMS-UHFFFAOYSA-N
SMILES:
Cc1ccccc1C(F)(F)F
Properties
Complexity:
128  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.05g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.139g/mol
Monoisotopic Mass:
160.05g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Synthesis and antiviral evaluation of 6-(trifluoromethylbenzyl) and 6-(fluorobenzyl) analogues of HIV drugs emivirine and GCA-186. Archiv der Pharmazie 20080101
Properties