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Home > Fluorides > 138329-46-1
138329-46-1 | 2-Dodecanol, 1,1,1-trifluoro-, (2S)-
CAS No: 138329-46-1 Catalog No: AG0018KL MDL No:MFCD06799356
Product Description
Catalog Number:
AG0018KL
Chemical Name:
2-Dodecanol, 1,1,1-trifluoro-, (2S)-
CAS Number:
138329-46-1
Molecular Formula:
C12H23F3O
Molecular Weight:
240.3056
MDL Number:
MFCD06799356
IUPAC Name:
(2S)-1,1,1-trifluorododecan-2-ol
InChI:
InChI=1S/C12H23F3O/c1-2-3-4-5-6-7-8-9-10-11(16)12(13,14)15/h11,16H,2-10H2,1H3/t11-/m0/s1
InChI Key:
MVHWXVCSJHZULK-NSHDSACASA-N
SMILES:
CCCCCCCCCC[C@@H](C(F)(F)F)O
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
240.17g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.31g/mol
Monoisotopic Mass:
240.17g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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