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1602302-69-1 | 7-iodo-1H,2H-pyrrolo[1,2-a]pyrazin-1-one
CAS No: 1602302-69-1 Catalog No: AG01AGAP MDL No:MFCD27980697
Product Description
Catalog Number:
AG01AGAP
Chemical Name:
7-iodo-1H,2H-pyrrolo[1,2-a]pyrazin-1-one
CAS Number:
1602302-69-1
Molecular Formula:
C7H5IN2O
Molecular Weight:
260.0319
MDL Number:
MFCD27980697
IUPAC Name:
7-iodo-2H-pyrrolo[1,2-a]pyrazin-1-one
InChI:
InChI=1S/C7H5IN2O/c8-5-3-6-7(11)9-1-2-10(6)4-5/h1-4H,(H,9,11)
InChI Key:
IIEHJIOEUMCSGG-UHFFFAOYSA-N
SMILES:
Ic1cn2c(c1)c(=O)[nH]cc2
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.945g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.034g/mol
Monoisotopic Mass:
259.945g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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