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1166831-43-1 | 2-Pyrazinecarboxamide, 6-chloro-3-methyl-
CAS No: 1166831-43-1 Catalog No: AG000CZI MDL No:
Product Description
Catalog Number:
AG000CZI
Chemical Name:
2-Pyrazinecarboxamide, 6-chloro-3-methyl-
CAS Number:
1166831-43-1
Molecular Formula:
C6H6ClN3O
Molecular Weight:
171.5843
IUPAC Name:
6-chloro-3-methylpyrazine-2-carboxamide
InChI:
InChI=1S/C6H6ClN3O/c1-3-5(6(8)11)10-4(7)2-9-3/h2H,1H3,(H2,8,11)
InChI Key:
TVIZAQWEGHFUNJ-UHFFFAOYSA-N
SMILES:
Clc1cnc(c(n1)C(=O)N)C
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.584g/mol
Monoisotopic Mass:
171.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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