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1403316-31-3 | Methyl 2-[4-(trifluoromethoxy)phenoxy]acetate
CAS No: 1403316-31-3 Catalog No: AG01FACJ MDL No:MFCD28505606
Product Description
Catalog Number:
AG01FACJ
Chemical Name:
Methyl 2-[4-(trifluoromethoxy)phenoxy]acetate
CAS Number:
1403316-31-3
Molecular Formula:
C10H9F3O4
Molecular Weight:
250.1713
MDL Number:
MFCD28505606
IUPAC Name:
methyl 2-[4-(trifluoromethoxy)phenoxy]acetate
InChI:
InChI=1S/C10H9F3O4/c1-15-9(14)6-16-7-2-4-8(5-3-7)17-10(11,12)13/h2-5H,6H2,1H3
InChI Key:
XLUPYPVJAIDFFV-UHFFFAOYSA-N
SMILES:
COC(=O)COc1ccc(cc1)OC(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:
250.045g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.173g/mol
Monoisotopic Mass:
250.045g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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