2-Heptanol, 1,1,1-trifluoro-, (2S)-


Chemical Name: 2-Heptanol, 1,1,1-trifluoro-, (2S)-
CAS Number: 130025-35-3
Product Number: AG000TY1(AGN-PC-0O0XCR)
Synonyms:
MDL No:
Molecular Formula: C7H13F3O
Molecular Weight: 170.1727

Identification/Properties


Properties
BP:
170.3 °C at 760 mmHg
Computed Properties
Molecular Weight:
170.175g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
170.092g/mol
Monoisotopic Mass:
170.092g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
100
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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