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22990-55-2 | 2-Butenoic acid, 3-[(4-chlorophenyl)amino]-2-cyano-, ethyl ester
CAS No: 22990-55-2 Catalog No: AG002LT9 MDL No:
Product Description
Catalog Number:
AG002LT9
Chemical Name:
2-Butenoic acid, 3-[(4-chlorophenyl)amino]-2-cyano-, ethyl ester
CAS Number:
22990-55-2
Molecular Formula:
C13H13ClN2O2
Molecular Weight:
264.7075
IUPAC Name:
ethyl 3-(4-chloroanilino)-2-cyanobut-2-enoate
InChI:
InChI=1S/C13H13ClN2O2/c1-3-18-13(17)12(8-15)9(2)16-11-6-4-10(14)5-7-11/h4-7,16H,3H2,1-2H3
InChI Key:
WRPUCKHLLKFRDK-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=C(Nc1ccc(cc1)Cl)C)C#N
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.709g/mol
Monoisotopic Mass:
264.067g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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