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653587-65-6 | Ethyl 2-Amino-2-trifluoromethyl-pent-4-enoate
CAS No: 653587-65-6 Catalog No: AG01FAI0 MDL No:
Product Description
Catalog Number:
AG01FAI0
Chemical Name:
Ethyl 2-Amino-2-trifluoromethyl-pent-4-enoate
CAS Number:
653587-65-6
Molecular Formula:
C8H12F3NO2
Molecular Weight:
211.1816
IUPAC Name:
ethyl 2-amino-2-(trifluoromethyl)pent-4-enoate
InChI:
InChI=1S/C8H12F3NO2/c1-3-5-7(12,8(9,10)11)6(13)14-4-2/h3H,1,4-5,12H2,2H3
InChI Key:
LDRQOCGFWBNDMT-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(F)(F)F)(CC=C)N
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.082g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.184g/mol
Monoisotopic Mass:
211.082g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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