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1260762-38-6 | Benzeneacetic acid, 4-amino-5-methoxy-2-(trifluoromethyl)-
CAS No: 1260762-38-6 Catalog No: AG000R52 MDL No:
Product Description
Catalog Number:
AG000R52
Chemical Name:
Benzeneacetic acid, 4-amino-5-methoxy-2-(trifluoromethyl)-
CAS Number:
1260762-38-6
Molecular Formula:
C10H10F3NO3
Molecular Weight:
249.1865
IUPAC Name:
2-[4-amino-5-methoxy-2-(trifluoromethyl)phenyl]acetic acid
InChI:
InChI=1S/C10H10F3NO3/c1-17-8-2-5(3-9(15)16)6(4-7(8)14)10(11,12)13/h2,4H,3,14H2,1H3,(H,15,16)
InChI Key:
ZXDWPYPWOUSRLH-UHFFFAOYSA-N
SMILES:
COc1cc(CC(=O)O)c(cc1N)C(F)(F)F
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.061g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.189g/mol
Monoisotopic Mass:
249.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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