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1000548-04-8 | 3-Fluoro-4-(trifluoromethoxy)phenethyl alcohol
CAS No: 1000548-04-8 Catalog No: AG01F9YR MDL No:
Product Description
Catalog Number:
AG01F9YR
Chemical Name:
3-Fluoro-4-(trifluoromethoxy)phenethyl alcohol
CAS Number:
1000548-04-8
Molecular Formula:
C9H8F4O2
Molecular Weight:
224.1522
IUPAC Name:
2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanol
InChI:
InChI=1S/C9H8F4O2/c10-7-5-6(3-4-14)1-2-8(7)15-9(11,12)13/h1-2,5,14H,3-4H2
InChI Key:
PVHMZKGTNUOPKI-UHFFFAOYSA-N
SMILES:
OCCc1ccc(c(c1)F)OC(F)(F)F
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.155g/mol
Monoisotopic Mass:
224.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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