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Home > Fluorides > 307531-78-8
307531-78-8 | 3-Dodecanol, 1,1,1,2,2-pentafluoro-, (3S)-
CAS No: 307531-78-8 Catalog No: AG00315I MDL No:
Product Description
Catalog Number:
AG00315I
Chemical Name:
3-Dodecanol, 1,1,1,2,2-pentafluoro-, (3S)-
CAS Number:
307531-78-8
Molecular Formula:
C12H21F5O
Molecular Weight:
276.2866
IUPAC Name:
(3S)-1,1,1,2,2-pentafluorododecan-3-ol
InChI:
InChI=1S/C12H21F5O/c1-2-3-4-5-6-7-8-9-10(18)11(13,14)12(15,16)17/h10,18H,2-9H2,1H3/t10-/m0/s1
InChI Key:
YFCKZQQCWZNEFP-JTQLQIEISA-N
SMILES:
CCCCCCCCC[C@@H](C(C(F)(F)F)(F)F)O
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
276.151g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.291g/mol
Monoisotopic Mass:
276.151g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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