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Home > Fluorides > 122412-08-2
122412-08-2 | 1,1'-Biphenyl, 4-ethoxy-2,3-difluoro-4'-pentyl-
CAS No: 122412-08-2 Catalog No: AG00177C MDL No:
Product Description
Catalog Number:
AG00177C
Chemical Name:
1,1'-Biphenyl, 4-ethoxy-2,3-difluoro-4'-pentyl-
CAS Number:
122412-08-2
Molecular Formula:
C19H22F2O
Molecular Weight:
304.3742
IUPAC Name:
1-ethoxy-2,3-difluoro-4-(4-pentylphenyl)benzene
InChI:
InChI=1S/C19H22F2O/c1-3-5-6-7-14-8-10-15(11-9-14)16-12-13-17(22-4-2)19(21)18(16)20/h8-13H,3-7H2,1-2H3
InChI Key:
RYFAVBRTSOQDNP-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)c1ccc(c(c1F)F)OCC
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.164g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.381g/mol
Monoisotopic Mass:
304.164g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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