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887268-12-4 | 2-(3,5-Bis-trifluoromethyl-phenoxy)-ethanol
CAS No: 887268-12-4 Catalog No: AG01EYHZ MDL No:
Product Description
Catalog Number:
AG01EYHZ
Chemical Name:
2-(3,5-Bis-trifluoromethyl-phenoxy)-ethanol
CAS Number:
887268-12-4
Molecular Formula:
C10H8F6O2
Molecular Weight:
274.1597
IUPAC Name:
2-[3,5-bis(trifluoromethyl)phenoxy]ethanol
InChI:
InChI=1S/C10H8F6O2/c11-9(12,13)6-3-7(10(14,15)16)5-8(4-6)18-2-1-17/h3-5,17H,1-2H2
InChI Key:
NUNUAFJJYCNGFX-UHFFFAOYSA-N
SMILES:
OCCOc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.043g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.162g/mol
Monoisotopic Mass:
274.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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