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Home > Fluorides > 891782-76-6
891782-76-6 | trans-1-Ethyl-4-trifluoromethyl-cyclohexane
CAS No: 891782-76-6 Catalog No: AG01FB43 MDL No:MFCD20233093
Product Description
Catalog Number:
AG01FB43
Chemical Name:
trans-1-Ethyl-4-trifluoromethyl-cyclohexane
CAS Number:
891782-76-6
Molecular Formula:
C9H15F3
Molecular Weight:
180.2106
MDL Number:
MFCD20233093
IUPAC Name:
1-ethyl-4-(trifluoromethyl)cyclohexane
InChI:
InChI=1S/C9H15F3/c1-2-7-3-5-8(6-4-7)9(10,11)12/h7-8H,2-6H2,1H3
InChI Key:
IDGKDUVJCWVLEI-UHFFFAOYSA-N
SMILES:
CC[C@@H]1CC[C@H](CC1)C(F)(F)F
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.113g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.214g/mol
Monoisotopic Mass:
180.113g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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