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354157-95-2 | Ethyl 2-Amino-2-benzyl-3,3,3-trifluoro-propanoate
CAS No: 354157-95-2 Catalog No: AG01F9DG MDL No:
Product Description
Catalog Number:
AG01F9DG
Chemical Name:
Ethyl 2-Amino-2-benzyl-3,3,3-trifluoro-propanoate
CAS Number:
354157-95-2
Molecular Formula:
C12H14F3NO2
Molecular Weight:
261.2403
IUPAC Name:
ethyl 2-amino-2-benzyl-3,3,3-trifluoropropanoate
InChI:
InChI=1S/C12H14F3NO2/c1-2-18-10(17)11(16,12(13,14)15)8-9-6-4-3-5-7-9/h3-7H,2,8,16H2,1H3
InChI Key:
XIQAFJYMSWQTBW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(F)(F)F)(Cc1ccccc1)N
Properties
Complexity:
288
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:
52.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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