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93524-64-2 | 1-Fluoro-2-(2,2,2-trifluoroethyl)benzene
CAS No: 93524-64-2 Catalog No: AG01EZD7 MDL No:MFCD11100172
Product Description
Catalog Number:
AG01EZD7
Chemical Name:
1-Fluoro-2-(2,2,2-trifluoroethyl)benzene
CAS Number:
93524-64-2
Molecular Formula:
C8H6F4
Molecular Weight:
178.1269
MDL Number:
MFCD11100172
IUPAC Name:
1-fluoro-2-(2,2,2-trifluoroethyl)benzene
InChI:
InChI=1S/C8H6F4/c9-7-4-2-1-3-6(7)5-8(10,11)12/h1-4H,5H2
InChI Key:
SPXLMKIFMUHCGI-UHFFFAOYSA-N
SMILES:
Fc1ccccc1CC(F)(F)F
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.041g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.13g/mol
Monoisotopic Mass:
178.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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