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2-Fluoropropane-1,3-diol

CAT: 0127-PC57454Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-PC57454Size:1 Each
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CAS Number
453-09-8
MDL Number
MFCD01697961
Purity
95%
Smiles
OCC(F)CO

Chemical Information

2-Fluoro-1,3-propanediol
CAS Number453-09-8
PubChem CID67986
IUPAC Name2-fluoropropane-1,3-diol
Molecular FormulaC3H7FO2
Molecular Weight94.08
XLogP-0.7
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity28
SMILES
C(C(CO)F)O
InChI
InChI=1S/C3H7FO2/c4-3(1-5)2-6/h3,5-6H,1-2H2
InChIKey
NWIQTMVDEWDMAM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Fluoro-1,3-propanediol
CAS: 453-09-8
CID: 67986
Formula: C3H7FO2
MW: 94.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight94.08
XLogP3-0.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass94.04300762
Monoisotopic Mass94.04300762
Topological Polar Surface Area40.5 Ų
Heavy Atom Count6
Formal Charge0
Complexity28
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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