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13127-03-2 | trans-1-Methyl-4-trifluoromethyl-cyclohexane
CAS No: 13127-03-2 Catalog No: AG01FAMB MDL No:MFCD20233081
Product Description
Catalog Number:
AG01FAMB
Chemical Name:
trans-1-Methyl-4-trifluoromethyl-cyclohexane
CAS Number:
13127-03-2
Molecular Formula:
C8H13F3
Molecular Weight:
166.1840
MDL Number:
MFCD20233081
IUPAC Name:
1-methyl-4-(trifluoromethyl)cyclohexane
InChI:
InChI=1S/C8H13F3/c1-6-2-4-7(5-3-6)8(9,10)11/h6-7H,2-5H2,1H3
InChI Key:
YZKFCSOACWTUBF-UHFFFAOYSA-N
SMILES:
C[C@@H]1CC[C@H](CC1)C(F)(F)F
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.097g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.187g/mol
Monoisotopic Mass:
166.097g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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