2-Butenoic acid, 3-(4-chlorophenyl)-2-cyano-, ethyl ester
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2-Butenoic acid, 3-(4-chlorophenyl)-2-cyano-, ethyl ester
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CAS No:
13455-81-7
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Formula:
C13H12ClNO2
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Chemical Name:
2-Butenoic acid, 3-(4-chlorophenyl)-2-cyano-, ethyl ester
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Synonyms:
ethyl 3-(4-chlorophenyl)-2-cyanobut-2-enoate;Ethyl (2E)-3-(4-chlorophenyl)-2-cyano-2-butenoate;ZINC32182012;Ethyl (2E)-3-(4-chlorophenyl)-2-cyano-2-butenoate #;3-(4-Chlorophenyl)-2-cyano-but-2-enoic acid, ethyl ester
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CAS No:
2-Butenoic acid, 3-(4-chlorophenyl)-2-cyano-, ethyl ester Basic Attributes
249.69288
249.056
DTXSID40336436
Computed Properties
Molecular Weight:249.69
XLogP3:3.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:249.0556563
Monoisotopic Mass:249.0556563
Topological Polar Surface Area:50.1
Heavy Atom Count:17
Complexity:359
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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