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145767-70-0 | Phenol, 2,6-difluoro-4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]-
CAS No: 145767-70-0 Catalog No: AG001DDP MDL No:
Product Description
Catalog Number:
AG001DDP
Chemical Name:
Phenol, 2,6-difluoro-4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]-
CAS Number:
145767-70-0
Molecular Formula:
C21H30F2O
Molecular Weight:
336.4591
IUPAC Name:
2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenol
InChI:
InChI=1S/C21H30F2O/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/h12-17,24H,2-11H2,1H3
InChI Key:
TUPBHQDYRHYZKS-UHFFFAOYSA-N
SMILES:
CCC[C@@H]1CC[C@H](CC1)[C@@H]1CC[C@H](CC1)c1cc(F)c(c(c1)F)O
EC Number:
604-490-2
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.226g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.467g/mol
Monoisotopic Mass:
336.226g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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