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82832-57-3 | trans,trans-4-(3,4-Difluorophenyl)-4'-propyl-1,1'-bi(cyclohexane)
CAS No: 82832-57-3 Catalog No: AG0039GF MDL No:MFCD09838997
Product Description
Catalog Number:
AG0039GF
Chemical Name:
trans,trans-4-(3,4-Difluorophenyl)-4'-propyl-1,1'-bi(cyclohexane)
CAS Number:
82832-57-3
Molecular Formula:
C21H30F2
Molecular Weight:
320.4597
MDL Number:
MFCD09838997
IUPAC Name:
1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
InChI:
InChI=1S/C21H30F2/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-20(22)21(23)14-19/h12-18H,2-11H2,1H3
InChI Key:
FSWZOZXLWVWJAH-UHFFFAOYSA-N
SMILES:
CCC[C@@H]1CC[C@H](CC1)[C@@H]1CC[C@H](CC1)c1ccc(c(c1)F)F
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.232g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.468g/mol
Monoisotopic Mass:
320.232g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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