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1153235-97-2 | [Methyl-(3-trifluoromethyl-benzyl)-amino]-acetic acid
CAS No: 1153235-97-2 Catalog No: AG01F85S MDL No:
Product Description
Catalog Number:
AG01F85S
Chemical Name:
[Methyl-(3-trifluoromethyl-benzyl)-amino]-acetic acid
CAS Number:
1153235-97-2
Molecular Formula:
C11H12F3NO2
Molecular Weight:
247.2137
IUPAC Name:
2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetic acid
InChI:
InChI=1S/C11H12F3NO2/c1-15(7-10(16)17)6-8-3-2-4-9(5-8)11(12,13)14/h2-5H,6-7H2,1H3,(H,16,17)
InChI Key:
CVBWVTRGBRTHJD-UHFFFAOYSA-N
SMILES:
CN(Cc1cccc(c1)C(F)(F)F)CC(=O)O
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.082g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.217g/mol
Monoisotopic Mass:
247.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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