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52486-21-2 | trans-1-Isopropyl-4-trifluoromethyl-cyclohexane
CAS No: 52486-21-2 Catalog No: AG01F9XO MDL No:MFCD20233110
Product Description
Catalog Number:
AG01F9XO
Chemical Name:
trans-1-Isopropyl-4-trifluoromethyl-cyclohexane
CAS Number:
52486-21-2
Molecular Formula:
C10H17F3
Molecular Weight:
194.2372
MDL Number:
MFCD20233110
IUPAC Name:
1-propan-2-yl-4-(trifluoromethyl)cyclohexane
InChI:
InChI=1S/C10H17F3/c1-7(2)8-3-5-9(6-4-8)10(11,12)13/h7-9H,3-6H2,1-2H3
InChI Key:
HHCGYESIUPXICQ-UHFFFAOYSA-N
SMILES:
CC([C@@H]1CC[C@H](CC1)C(F)(F)F)C
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.128g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.241g/mol
Monoisotopic Mass:
194.128g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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