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1000566-45-9 | Benzeneacetic acid, 4-methoxy-3-(trifluoromethyl)-
CAS No: 1000566-45-9 Catalog No: AG0000Q5 MDL No:MFCD09832302
Product Description
Catalog Number:
AG0000Q5
Chemical Name:
Benzeneacetic acid, 4-methoxy-3-(trifluoromethyl)-
CAS Number:
1000566-45-9
Molecular Formula:
C10H9F3O3
Molecular Weight:
234.1719
MDL Number:
MFCD09832302
IUPAC Name:
2-[4-methoxy-3-(trifluoromethyl)phenyl]acetic acid
InChI:
InChI=1S/C10H9F3O3/c1-16-8-3-2-6(5-9(14)15)4-7(8)10(11,12)13/h2-4H,5H2,1H3,(H,14,15)
InChI Key:
SVJBALZZRCDJHL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(F)(F)F)CC(=O)O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.05g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.174g/mol
Monoisotopic Mass:
234.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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