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Home > Fluorides > 158884-40-3
158884-40-3 | 1-Methyl-2-(2,2,2-trifluoroethyl)benzene
CAS No: 158884-40-3 Catalog No: AG01EU9T MDL No:MFCD11100174
Product Description
Catalog Number:
AG01EU9T
Chemical Name:
1-Methyl-2-(2,2,2-trifluoroethyl)benzene
CAS Number:
158884-40-3
Molecular Formula:
C9H9F3
Molecular Weight:
174.1630
MDL Number:
MFCD11100174
IUPAC Name:
1-methyl-2-(2,2,2-trifluoroethyl)benzene
InChI:
InChI=1S/C9H9F3/c1-7-4-2-3-5-8(7)6-9(10,11)12/h2-5H,6H2,1H3
InChI Key:
METWOZJZQQFALO-UHFFFAOYSA-N
SMILES:
Cc1ccccc1CC(F)(F)F
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.066g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.166g/mol
Monoisotopic Mass:
174.066g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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