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1260673-99-1 | Benzeneacetic acid, 4-amino-3-methyl-2-(trifluoromethyl)-
CAS No: 1260673-99-1 Catalog No: AG000R21 MDL No:
Product Description
Catalog Number:
AG000R21
Chemical Name:
Benzeneacetic acid, 4-amino-3-methyl-2-(trifluoromethyl)-
CAS Number:
1260673-99-1
Molecular Formula:
C10H10F3NO2
Molecular Weight:
233.1871
IUPAC Name:
2-[4-amino-3-methyl-2-(trifluoromethyl)phenyl]acetic acid
InChI:
InChI=1S/C10H10F3NO2/c1-5-7(14)3-2-6(4-8(15)16)9(5)10(11,12)13/h2-3H,4,14H2,1H3,(H,15,16)
InChI Key:
HDVXHSZZEOBMSH-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(c(c1C(F)(F)F)C)N
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.066g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.19g/mol
Monoisotopic Mass:
233.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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