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1300712-88-2 | Ethyl 2-Amino-4-methyl-2-trifluoromethyl-pentanoate
CAS No: 1300712-88-2 Catalog No: AG01F8QT MDL No:
Product Description
Catalog Number:
AG01F8QT
Chemical Name:
Ethyl 2-Amino-4-methyl-2-trifluoromethyl-pentanoate
CAS Number:
1300712-88-2
Molecular Formula:
C9H16F3NO2
Molecular Weight:
227.2240
IUPAC Name:
ethyl 2-amino-4-methyl-2-(trifluoromethyl)pentanoate
InChI:
InChI=1S/C9H16F3NO2/c1-4-15-7(14)8(13,5-6(2)3)9(10,11)12/h6H,4-5,13H2,1-3H3
InChI Key:
JSELWNCYDSURND-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(F)(F)F)(CC(C)C)N
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.113g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.227g/mol
Monoisotopic Mass:
227.113g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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