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1214384-22-1 | Benzene, 1-chloro-3-methyl-5-(trifluoromethyl)-
CAS No: 1214384-22-1 Catalog No: AG0014YL MDL No:MFCD13185476
Product Description
Catalog Number:
AG0014YL
Chemical Name:
Benzene, 1-chloro-3-methyl-5-(trifluoromethyl)-
CAS Number:
1214384-22-1
Molecular Formula:
C8H6ClF3
Molecular Weight:
194.5814
MDL Number:
MFCD13185476
IUPAC Name:
1-chloro-3-methyl-5-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H6ClF3/c1-5-2-6(8(10,11)12)4-7(9)3-5/h2-4H,1H3
InChI Key:
ZZDQQODCOMDGAW-UHFFFAOYSA-N
SMILES:
Cc1cc(Cl)cc(c1)C(F)(F)F
Properties
Complexity:
155
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:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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