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72111-60-5 | 2,3-Pyrazinedicarbonitrile, 5-butyl-6-chloro-
CAS No: 72111-60-5 Catalog No: AG005K57 MDL No:
Product Description
Catalog Number:
AG005K57
Chemical Name:
2,3-Pyrazinedicarbonitrile, 5-butyl-6-chloro-
CAS Number:
72111-60-5
Molecular Formula:
C10H9ClN4
Molecular Weight:
220.6583
IUPAC Name:
5-butyl-6-chloropyrazine-2,3-dicarbonitrile
InChI:
InChI=1S/C10H9ClN4/c1-2-3-4-7-10(11)15-9(6-13)8(5-12)14-7/h2-4H2,1H3
InChI Key:
MDXNKKBBAVUXSS-UHFFFAOYSA-N
SMILES:
CCCCc1nc(C#N)c(nc1Cl)C#N
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.052g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.66g/mol
Monoisotopic Mass:
220.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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