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Home > Fluorides > 207502-47-4
207502-47-4 | Benzenemethanol, 3,4,5-trimethoxy-α-(trifluoromethyl)-
CAS No: 207502-47-4 Catalog No: AG002J39 MDL No:MFCD16432474
Product Description
Catalog Number:
AG002J39
Chemical Name:
Benzenemethanol, 3,4,5-trimethoxy-α-(trifluoromethyl)-
CAS Number:
207502-47-4
Molecular Formula:
C11H13F3O4
Molecular Weight:
266.2137
MDL Number:
MFCD16432474
IUPAC Name:
2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethanol
InChI:
InChI=1S/C11H13F3O4/c1-16-7-4-6(10(15)11(12,13)14)5-8(17-2)9(7)18-3/h4-5,10,15H,1-3H3
InChI Key:
ZFJMAVOAVACYQJ-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)C(C(F)(F)F)O
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.077g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.216g/mol
Monoisotopic Mass:
266.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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