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382-31-0 | 2,2,3,4,4,4-Hexafluorobutan-1-ol
CAS No: 382-31-0 Catalog No: AG003B2Y MDL No:MFCD00042309
Product Description
Catalog Number:
AG003B2Y
Chemical Name:
2,2,3,4,4,4-Hexafluorobutan-1-ol
CAS Number:
382-31-0
Molecular Formula:
C4H4F6O
Molecular Weight:
182.0644
MDL Number:
MFCD00042309
IUPAC Name:
2,2,3,4,4,4-hexafluorobutan-1-ol
InChI:
InChI=1S/C4H4F6O/c5-2(4(8,9)10)3(6,7)1-11/h2,11H,1H2
InChI Key:
LVFXLZRISXUAIL-UHFFFAOYSA-N
SMILES:
OCC(C(C(F)(F)F)F)(F)F
EC Number:
206-842-7
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.017g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.065g/mol
Monoisotopic Mass:
182.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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