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89634-74-2 | 4-Chloro-1-fluoro-2-(trifluoromethyl)benzene
CAS No: 89634-74-2 Catalog No: AG003MMI MDL No:MFCD00060655
Product Description
Catalog Number:
AG003MMI
Chemical Name:
4-Chloro-1-fluoro-2-(trifluoromethyl)benzene
CAS Number:
89634-74-2
Molecular Formula:
C7H3ClF4
Molecular Weight:
198.5453
MDL Number:
MFCD00060655
IUPAC Name:
4-chloro-1-fluoro-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C7H3ClF4/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H
InChI Key:
PFLGDQIWYTWKCM-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C(F)(F)F)F
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.986g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.545g/mol
Monoisotopic Mass:
197.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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