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1000548-81-1 | Benzeneethanol, 2,4-bis(trifluoromethyl)-
CAS No: 1000548-81-1 Catalog No: AG0000QK MDL No:
Product Description
Catalog Number:
AG0000QK
Chemical Name:
Benzeneethanol, 2,4-bis(trifluoromethyl)-
CAS Number:
1000548-81-1
Molecular Formula:
C10H8F6O
Molecular Weight:
258.1603
IUPAC Name:
2-[2,4-bis(trifluoromethyl)phenyl]ethanol
InChI:
InChI=1S/C10H8F6O/c11-9(12,13)7-2-1-6(3-4-17)8(5-7)10(14,15)16/h1-2,5,17H,3-4H2
InChI Key:
MTNNOGVLQKHYEO-UHFFFAOYSA-N
SMILES:
OCCc1ccc(cc1C(F)(F)F)C(F)(F)F
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.048g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.163g/mol
Monoisotopic Mass:
258.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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