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1260778-78-6 | Benzeneacetic acid, 4-amino-3-(trifluoromethoxy)-
CAS No: 1260778-78-6 Catalog No: AG000R82 MDL No:
Product Description
Catalog Number:
AG000R82
Chemical Name:
Benzeneacetic acid, 4-amino-3-(trifluoromethoxy)-
CAS Number:
1260778-78-6
Molecular Formula:
C9H8F3NO3
Molecular Weight:
235.1599
IUPAC Name:
2-[4-amino-3-(trifluoromethoxy)phenyl]acetic acid
InChI:
InChI=1S/C9H8F3NO3/c10-9(11,12)16-7-3-5(4-8(14)15)1-2-6(7)13/h1-3H,4,13H2,(H,14,15)
InChI Key:
NPLDTUQVYDEAJY-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(c(c1)OC(F)(F)F)N
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.162g/mol
Monoisotopic Mass:
235.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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