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1183604-52-5 | [Ethyl-(3-trifluoromethyl-benzyl)-amino]-acetic acid
CAS No: 1183604-52-5 Catalog No: AG01F8EU MDL No:
Product Description
Catalog Number:
AG01F8EU
Chemical Name:
[Ethyl-(3-trifluoromethyl-benzyl)-amino]-acetic acid
CAS Number:
1183604-52-5
Molecular Formula:
C12H14F3NO2
Molecular Weight:
261.2403
IUPAC Name:
2-[ethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetic acid
InChI:
InChI=1S/C12H14F3NO2/c1-2-16(8-11(17)18)7-9-4-3-5-10(6-9)12(13,14)15/h3-6H,2,7-8H2,1H3,(H,17,18)
InChI Key:
PWZPRSDEXCNJMS-UHFFFAOYSA-N
SMILES:
CCN(Cc1cccc(c1)C(F)(F)F)CC(=O)O
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.098g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.244g/mol
Monoisotopic Mass:
261.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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