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88346-47-8 | Pyrazine, 3-chloro-2,5-bis(1-methylpropyl)-
CAS No: 88346-47-8 Catalog No: AG0046FG MDL No:
Product Description
Catalog Number:
AG0046FG
Chemical Name:
Pyrazine, 3-chloro-2,5-bis(1-methylpropyl)-
CAS Number:
88346-47-8
Molecular Formula:
C12H19ClN2
Molecular Weight:
226.7457
IUPAC Name:
2,5-di(butan-2-yl)-3-chloropyrazine
InChI:
InChI=1S/C12H19ClN2/c1-5-8(3)10-7-14-11(9(4)6-2)12(13)15-10/h7-9H,5-6H2,1-4H3
InChI Key:
MCTAFUUCPZHXMN-UHFFFAOYSA-N
SMILES:
CCC(c1cnc(c(n1)Cl)C(CC)C)C
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.124g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.748g/mol
Monoisotopic Mass:
226.124g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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