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Home > Fluorides > 138074-21-2
138074-21-2 | Benzene, 1,3-difluoro-5-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]-
CAS No: 138074-21-2 Catalog No: AG0017YR MDL No:
Product Description
Catalog Number:
AG0017YR
Chemical Name:
Benzene, 1,3-difluoro-5-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]-
CAS Number:
138074-21-2
Molecular Formula:
C21H30F2
Molecular Weight:
320.4597
IUPAC Name:
1,3-difluoro-5-[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)19-12-20(22)14-21(23)13-19/h12-18H,2-11H2,1H3
InChI Key:
JBLVUPDQNCHQFH-UHFFFAOYSA-N
SMILES:
CCC[C@@H]1CC[C@H](CC1)[C@@H]1CC[C@H](CC1)c1cc(F)cc(c1)F
Properties
Complexity:
330
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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