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Home > Fluorides > 131819-23-3
131819-23-3 | Benzene, 1,2,3-trifluoro-5-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]-
CAS No: 131819-23-3 Catalog No: AG000ZRZ MDL No:MFCD09838998
Product Description
Catalog Number:
AG000ZRZ
Chemical Name:
Benzene, 1,2,3-trifluoro-5-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]-
CAS Number:
131819-23-3
Molecular Formula:
C21H29F3
Molecular Weight:
338.4502
MDL Number:
MFCD09838998
IUPAC Name:
1,2,3-trifluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
InChI:
InChI=1S/C21H29F3/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18-12-19(22)21(24)20(23)13-18/h12-17H,2-11H2,1H3
InChI Key:
FEWMLRARKGRCCE-UHFFFAOYSA-N
SMILES:
CCC[C@@H]1CC[C@H](CC1)[C@@H]1CC[C@H](CC1)c1cc(F)c(c(c1)F)F
EC Number:
603-522-2
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.222g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.458g/mol
Monoisotopic Mass:
338.222g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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