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95-89-6 | 3-Chloro-2,5-dimethylpyrazine
CAS No: 95-89-6 Catalog No: AG003J6J MDL No:MFCD00006143
Product Description
Catalog Number:
AG003J6J
Chemical Name:
3-Chloro-2,5-dimethylpyrazine
CAS Number:
95-89-6
Molecular Formula:
C6H7ClN2
Molecular Weight:
142.5862
MDL Number:
MFCD00006143
IUPAC Name:
3-chloro-2,5-dimethylpyrazine
InChI:
InChI=1S/C6H7ClN2/c1-4-3-8-5(2)6(7)9-4/h3H,1-2H3
InChI Key:
NNBALVIZMGWZHS-UHFFFAOYSA-N
SMILES:
Cc1cnc(c(n1)Cl)C
EC Number:
202-463-6
NSC Number:
40820
Properties
Complexity:
97.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.03g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.586g/mol
Monoisotopic Mass:
142.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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