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1000544-72-8 | Benzeneacetic acid, 4-methyl-3-(trifluoromethyl)-
CAS No: 1000544-72-8 Catalog No: AG0000PJ MDL No:MFCD09832293
Product Description
Catalog Number:
AG0000PJ
Chemical Name:
Benzeneacetic acid, 4-methyl-3-(trifluoromethyl)-
CAS Number:
1000544-72-8
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
MDL Number:
MFCD09832293
IUPAC Name:
2-[4-methyl-3-(trifluoromethyl)phenyl]acetic acid
InChI:
InChI=1S/C10H9F3O2/c1-6-2-3-7(5-9(14)15)4-8(6)10(11,12)13/h2-4H,5H2,1H3,(H,14,15)
InChI Key:
GDCOLUWREQNZSM-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(c(c1)C(F)(F)F)C
Properties
Complexity:
237
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:
1
Isotope Atom Count:
0
Molecular Weight:
218.175g/mol
Monoisotopic Mass:
218.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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