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1737-28-6 | Benzenemethanol, α-methyl-4-(trifluoromethoxy)-
CAS No: 1737-28-6 Catalog No: AG001Z5A MDL No:MFCD07784263
Product Description
Catalog Number:
AG001Z5A
Chemical Name:
Benzenemethanol, α-methyl-4-(trifluoromethoxy)-
CAS Number:
1737-28-6
Molecular Formula:
C9H9F3O2
Molecular Weight:
206.1618
MDL Number:
MFCD07784263
IUPAC Name:
1-[4-(trifluoromethoxy)phenyl]ethanol
InChI:
InChI=1S/C9H9F3O2/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12/h2-6,13H,1H3
InChI Key:
RFESEZYNEIOJHS-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)OC(F)(F)F)O
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.055g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.164g/mol
Monoisotopic Mass:
206.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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