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Home > Fluorides > 1000339-56-9
1000339-56-9 | Benzene, 1-methoxy-3-methyl-5-(trifluoromethoxy)-
CAS No: 1000339-56-9 Catalog No: AG0000DK MDL No:MFCD08741404
Product Description
Catalog Number:
AG0000DK
Chemical Name:
Benzene, 1-methoxy-3-methyl-5-(trifluoromethoxy)-
CAS Number:
1000339-56-9
Molecular Formula:
C9H9F3O2
Molecular Weight:
206.1618
MDL Number:
MFCD08741404
IUPAC Name:
1-methoxy-3-methyl-5-(trifluoromethoxy)benzene
InChI:
InChI=1S/C9H9F3O2/c1-6-3-7(13-2)5-8(4-6)14-9(10,11)12/h3-5H,1-2H3
InChI Key:
LCNOEWBAXFSPOO-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)C)OC(F)(F)F
Properties
Complexity:
181
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:
0
Isotope Atom Count:
0
Molecular Weight:
206.164g/mol
Monoisotopic Mass:
206.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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