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Home > Fluorides > 201945-72-4
201945-72-4 | 3-Heptanol, 1,1,1-trifluoro-
CAS No: 201945-72-4 Catalog No: AG0027XK MDL No:
Product Description
Catalog Number:
AG0027XK
Chemical Name:
3-Heptanol, 1,1,1-trifluoro-
CAS Number:
201945-72-4
Molecular Formula:
C7H13F3O
Molecular Weight:
170.1727
IUPAC Name:
1,1,1-trifluoroheptan-3-ol
InChI:
InChI=1S/C7H13F3O/c1-2-3-4-6(11)5-7(8,9)10/h6,11H,2-5H2,1H3
InChI Key:
BUYOTKFYFNHKBI-UHFFFAOYSA-N
SMILES:
CCCCC(CC(F)(F)F)O
Properties
Complexity:
100
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:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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