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141122-62-5 | 3H-Indazol-3-one, 1,2-dihydro-5-iodo-
CAS No: 141122-62-5 Catalog No: AG001FYQ MDL No:MFCD07781645
Product Description
Catalog Number:
AG001FYQ
Chemical Name:
3H-Indazol-3-one, 1,2-dihydro-5-iodo-
CAS Number:
141122-62-5
Molecular Formula:
C7H5IN2O
Molecular Weight:
260.0319
MDL Number:
MFCD07781645
IUPAC Name:
5-iodo-1,2-dihydroindazol-3-one
InChI:
InChI=1S/C7H5IN2O/c8-4-1-2-6-5(3-4)7(11)10-9-6/h1-3H,(H2,9,10,11)
InChI Key:
VPUMHNMIQKJAHK-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)c(=O)[nH][nH]2
Properties
Complexity:
185
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:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.034g/mol
Monoisotopic Mass:
259.945g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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