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Home > Fluorides > 161361-16-6
161361-16-6 | (2,2,2-Trifluoro-1-methylethyl)benzene
CAS No: 161361-16-6 Catalog No: AG01EUA5 MDL No:
Product Description
Catalog Number:
AG01EUA5
Chemical Name:
(2,2,2-Trifluoro-1-methylethyl)benzene
CAS Number:
161361-16-6
Molecular Formula:
C9H9F3
Molecular Weight:
174.1630
IUPAC Name:
1,1,1-trifluoropropan-2-ylbenzene
InChI:
InChI=1S/C9H9F3/c1-7(9(10,11)12)8-5-3-2-4-6-8/h2-7H,1H3
InChI Key:
LXYXDDCJRHYYKF-UHFFFAOYSA-N
SMILES:
CC(C(F)(F)F)c1ccccc1
Properties
Complexity:
133
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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