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14633-64-8 | 2-Hexanol, 1,1,1-trifluoro-2-methyl-
CAS No: 14633-64-8 Catalog No: AG001DWX MDL No:
Product Description
Catalog Number:
AG001DWX
Chemical Name:
2-Hexanol, 1,1,1-trifluoro-2-methyl-
CAS Number:
14633-64-8
Molecular Formula:
C7H13F3O
Molecular Weight:
170.1727
IUPAC Name:
1,1,1-trifluoro-2-methylhexan-2-ol
InChI:
InChI=1S/C7H13F3O/c1-3-4-5-6(2,11)7(8,9)10/h11H,3-5H2,1-2H3
InChI Key:
AEODWXIFFMLVQS-UHFFFAOYSA-N
SMILES:
CCCCC(C(F)(F)F)(O)C
NSC Number:
117349
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.092g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.175g/mol
Monoisotopic Mass:
170.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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