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113983-94-1 | Propanedinitrile, 2-(3-chloro-2(1H)-quinoxalinylidene)-
CAS No: 113983-94-1 Catalog No: AG000A8H MDL No:MFCD03952862
Product Description
Catalog Number:
AG000A8H
Chemical Name:
Propanedinitrile, 2-(3-chloro-2(1H)-quinoxalinylidene)-
CAS Number:
113983-94-1
Molecular Formula:
C11H5ClN4
Molecular Weight:
228.6372
MDL Number:
MFCD03952862
IUPAC Name:
2-(3-chloro-1H-quinoxalin-2-ylidene)propanedinitrile
InChI:
InChI=1S/C11H5ClN4/c12-11-10(7(5-13)6-14)15-8-3-1-2-4-9(8)16-11/h1-4,15H
InChI Key:
AQJRBPLUJNFYKW-UHFFFAOYSA-N
SMILES:
N#CC(=c1[nH]c2ccccc2nc1Cl)C#N
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.02g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.639g/mol
Monoisotopic Mass:
228.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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