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1353983-31-9 | 2-Chloro-N-methyl-N-pyrazin-2-ylmethyl-acetamide
CAS No: 1353983-31-9 Catalog No: AG01F9IY MDL No:
Product Description
Catalog Number:
AG01F9IY
Chemical Name:
2-Chloro-N-methyl-N-pyrazin-2-ylmethyl-acetamide
CAS Number:
1353983-31-9
Molecular Formula:
C8H10ClN3O
Molecular Weight:
199.6375
IUPAC Name:
2-chloro-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
InChI:
InChI=1S/C8H10ClN3O/c1-12(8(13)4-9)6-7-5-10-2-3-11-7/h2-3,5H,4,6H2,1H3
InChI Key:
IPTMWWAQQSMCLS-UHFFFAOYSA-N
SMILES:
CN(C(=O)CCl)Cc1cnccn1
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.638g/mol
Monoisotopic Mass:
199.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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