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Home > Fluorides > 149550-21-0
149550-21-0 | 2-Propenoic acid, 2-cyano-3-[4-(trifluoromethyl)phenyl]-, ethyl ester
CAS No: 149550-21-0 Catalog No: AG001LTQ MDL No:MFCD00176452
Product Description
Catalog Number:
AG001LTQ
Chemical Name:
2-Propenoic acid, 2-cyano-3-[4-(trifluoromethyl)phenyl]-, ethyl ester
CAS Number:
149550-21-0
Molecular Formula:
C13H10F3NO2
Molecular Weight:
269.2192
MDL Number:
MFCD00176452
IUPAC Name:
ethyl (E)-2-cyano-3-[4-(trifluoromethyl)phenyl]prop-2-enoate
InChI:
InChI=1S/C13H10F3NO2/c1-2-19-12(18)10(8-17)7-9-3-5-11(6-4-9)13(14,15)16/h3-7H,2H2,1H3/b10-7+
InChI Key:
LTVGCUOWZGIJQG-JXMROGBWSA-N
SMILES:
CCOC(=O)C(=Cc1ccc(cc1)C(F)(F)F)C#N
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
269.066g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.223g/mol
Monoisotopic Mass:
269.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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