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181039-97-4 | Benzeneacetic acid, 2-(trifluoromethyl)-, methyl ester
CAS No: 181039-97-4 Catalog No: AG0022MY MDL No:MFCD12025033
Product Description
Catalog Number:
AG0022MY
Chemical Name:
Benzeneacetic acid, 2-(trifluoromethyl)-, methyl ester
CAS Number:
181039-97-4
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
MDL Number:
MFCD12025033
IUPAC Name:
methyl 2-[2-(trifluoromethyl)phenyl]acetate
InChI:
InChI=1S/C10H9F3O2/c1-15-9(14)6-7-4-2-3-5-8(7)10(11,12)13/h2-5H,6H2,1H3
InChI Key:
YWVRILIISWHRDP-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccccc1C(F)(F)F
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.055g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.175g/mol
Monoisotopic Mass:
218.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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