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2138056-97-8 | 3-iodo-2-methyl-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CAS No: 2138056-97-8 Catalog No: AG01ELIE MDL No:MFCD31559365
Product Description
Catalog Number:
AG01ELIE
Chemical Name:
3-iodo-2-methyl-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CAS Number:
2138056-97-8
Molecular Formula:
C7H6IN3O
Molecular Weight:
275.0465
MDL Number:
MFCD31559365
IUPAC Name:
3-iodo-2-methyl-2,3,3a,5-tetrahydro-1H-pyrazolo[1,5-a]pyrazin-4-one
InChI:
InChI=1S/C7H10IN3O/c1-4-5(8)6-7(12)9-2-3-11(6)10-4/h2-6,10H,1H3,(H,9,12)
InChI Key:
JRBVQDWCRMXDTP-UHFFFAOYSA-N
SMILES:
Cc1nn2c(c1I)c(=O)[nH]cc2
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.987g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.081g/mol
Monoisotopic Mass:
278.987g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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