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28783-57-5 | 2-Butenoic acid, 3-chloro-2-cyano-, ethyl ester
CAS No: 28783-57-5 Catalog No: AG002WGQ MDL No:
Product Description
Catalog Number:
AG002WGQ
Chemical Name:
2-Butenoic acid, 3-chloro-2-cyano-, ethyl ester
CAS Number:
28783-57-5
Molecular Formula:
C7H8ClNO2
Molecular Weight:
173.5969
IUPAC Name:
ethyl 3-chloro-2-cyanobut-2-enoate
InChI:
InChI=1S/C7H8ClNO2/c1-3-11-7(10)6(4-9)5(2)8/h3H2,1-2H3
InChI Key:
QCGCDIFSUWEIOL-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=C(Cl)C)C#N
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.024g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.596g/mol
Monoisotopic Mass:
173.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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