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Home > Fluorides > 819862-51-6
819862-51-6 | Naphthalene, 7-ethoxy-1,2-difluoro-3-[2-(trans-4-pentylcyclohexyl)ethyl]-
CAS No: 819862-51-6 Catalog No: AG004Z4G MDL No:
Product Description
Catalog Number:
AG004Z4G
Chemical Name:
Naphthalene, 7-ethoxy-1,2-difluoro-3-[2-(trans-4-pentylcyclohexyl)ethyl]-
CAS Number:
819862-51-6
Molecular Formula:
C25H34F2O
Molecular Weight:
388.5337
IUPAC Name:
7-ethoxy-1,2-difluoro-3-[2-(4-pentylcyclohexyl)ethyl]naphthalene
InChI:
InChI=1S/C25H34F2O/c1-3-5-6-7-18-8-10-19(11-9-18)12-13-21-16-20-14-15-22(28-4-2)17-23(20)25(27)24(21)26/h14-19H,3-13H2,1-2H3
InChI Key:
BZGWPQGAKRLVTQ-UHFFFAOYSA-N
SMILES:
CCCCC[C@@H]1CC[C@H](CC1)CCc1cc2ccc(cc2c(c1F)F)OCC
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.258g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.543g/mol
Monoisotopic Mass:
388.258g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.7
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