2-(4,4-difluorocyclohexyl)acetic acid


Chemical Name: 2-(4,4-difluorocyclohexyl)acetic acid
CAS Number: 915030-40-9
Product Number: AG006LLU(AGN-PC-09S0NV)
Synonyms:
MDL No:
Molecular Formula: C8H12F2O2
Molecular Weight: 178.1765

Identification/Properties


Properties
BP:
265.0±10.0℃ (760 Torr)
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
178.179g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
178.081g/mol
Monoisotopic Mass:
178.081g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
170
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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