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2092-87-7 | 2-Naphthalenemethanol, 1-hydroxy-α,α-bis(trifluoromethyl)-
CAS No: 2092-87-7 Catalog No: AG002K3N MDL No:MFCD06247736
Product Description
Catalog Number:
AG002K3N
Chemical Name:
2-Naphthalenemethanol, 1-hydroxy-α,α-bis(trifluoromethyl)-
CAS Number:
2092-87-7
Molecular Formula:
C13H8F6O2
Molecular Weight:
310.1918
MDL Number:
MFCD06247736
IUPAC Name:
2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-ol
InChI:
InChI=1S/C13H8F6O2/c14-12(15,16)11(21,13(17,18)19)9-6-5-7-3-1-2-4-8(7)10(9)20/h1-6,20-21H
InChI Key:
XUEIXZZGKCDNGZ-UHFFFAOYSA-N
SMILES:
Oc1c2ccccc2ccc1C(C(F)(F)F)(C(F)(F)F)O
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.043g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.195g/mol
Monoisotopic Mass:
310.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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