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57296-02-3 | MALONONITRILE, [2-(3-ETHYL-2-BENZOTHIAZOLINYLIDENE)ETHYLIDENE]-
CAS No: 57296-02-3 Catalog No: AG00F137 MDL No:
Product Description
Catalog Number:
AG00F137
Chemical Name:
MALONONITRILE, [2-(3-ETHYL-2-BENZOTHIAZOLINYLIDENE)ETHYLIDENE]-
CAS Number:
57296-02-3
IUPAC Name:
2-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]propanedinitrile
InChI:
InChI=1S/C14H11N3S/c1-2-17-12-5-3-4-6-13(12)18-14(17)8-7-11(9-15)10-16/h3-8H,2H2,1H3/b14-8-
InChI Key:
WBHQBVPTJRAPIJ-ZSOIEALJSA-N
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
253.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.323g/mol
Monoisotopic Mass:
253.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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