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Home > Fluorides > 126300-39-8
126300-39-8 | 3,3-Difluoro-1,5-pentanediol
CAS No: 126300-39-8 Catalog No: AG01FF9Z MDL No:MFCD28166144
Product Description
Catalog Number:
AG01FF9Z
Chemical Name:
3,3-Difluoro-1,5-pentanediol
CAS Number:
126300-39-8
Molecular Formula:
C5H10F2O2
Molecular Weight:
140.1285
MDL Number:
MFCD28166144
IUPAC Name:
3,3-difluoropentane-1,5-diol
InChI:
InChI=1S/C5H10F2O2/c6-5(7,1-3-8)2-4-9/h8-9H,1-4H2
InChI Key:
XZHYSPKAWZYXRB-UHFFFAOYSA-N
SMILES:
OCCC(CCO)(F)F
Properties
Complexity:
67.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.065g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
140.13g/mol
Monoisotopic Mass:
140.065g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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