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21742-00-7 | 2-(Trifluoromethyl)benzyl chloride
CAS No: 21742-00-7 Catalog No: AG003F5P MDL No:MFCD00009920
Product Description
Catalog Number:
AG003F5P
Chemical Name:
2-(Trifluoromethyl)benzyl chloride
CAS Number:
21742-00-7
Molecular Formula:
C8H6ClF3
Molecular Weight:
194.5814
MDL Number:
MFCD00009920
IUPAC Name:
1-(chloromethyl)-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H6ClF3/c9-5-6-3-1-2-4-7(6)8(10,11)12/h1-4H,5H2
InChI Key:
BBXDMCQDLOCXRA-UHFFFAOYSA-N
SMILES:
ClCc1ccccc1C(F)(F)F
EC Number:
244-560-6
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.011g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.581g/mol
Monoisotopic Mass:
194.011g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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