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1260852-15-0 | Benzeneacetic acid, 4-amino-2-(trifluoromethoxy)-
CAS No: 1260852-15-0 Catalog No: AG000RGC MDL No:
Product Description
Catalog Number:
AG000RGC
Chemical Name:
Benzeneacetic acid, 4-amino-2-(trifluoromethoxy)-
CAS Number:
1260852-15-0
Molecular Formula:
C9H8F3NO3
Molecular Weight:
235.1599
IUPAC Name:
2-[4-amino-2-(trifluoromethoxy)phenyl]acetic acid
InChI:
InChI=1S/C9H8F3NO3/c10-9(11,12)16-7-4-6(13)2-1-5(7)3-8(14)15/h1-2,4H,3,13H2,(H,14,15)
InChI Key:
QFVFXHRFQOLXNP-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1OC(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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