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6763-71-9 | 2-iodo-1-(3-methyl-4-methylidenepyrazolo[5,1-c][1,2,4]triazin-6(4h)-yl)ethanone
CAS No: 6763-71-9 Catalog No: AG006M6K MDL No:
Product Description
Catalog Number:
AG006M6K
Chemical Name:
2-iodo-1-(3-methyl-4-methylidenepyrazolo[5,1-c][1,2,4]triazin-6(4h)-yl)ethanone
CAS Number:
6763-71-9
Molecular Formula:
C9H9IN4O
Molecular Weight:
316.0984
IUPAC Name:
2-iodo-1-(3-methyl-4-methylidenepyrazolo[5,1-c][1,2,4]triazin-6-yl)ethanone
InChI:
InChI=1S/C9H9IN4O/c1-6-7(2)14-8(12-11-6)3-4-13(14)9(15)5-10/h3-4H,2,5H2,1H3
InChI Key:
DPSQSBQBWHFTRX-UHFFFAOYSA-N
SMILES:
ICC(=O)n1ccc2n1c(=C)c(nn2)C
NSC Number:
115525
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.982g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.102g/mol
Monoisotopic Mass:
315.982g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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