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13630-19-8 | 1-Methyl-2-(trifluoromethyl)benzene
CAS No: 13630-19-8 Catalog No: AG003HOS MDL No:MFCD00153204
Product Description
Catalog Number:
AG003HOS
Chemical Name:
1-Methyl-2-(trifluoromethyl)benzene
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 |
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