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153239-91-9 | 3(2H)-Pyridazinone, 5-iodo-2-methyl-
CAS No: 153239-91-9 Catalog No: AG00HY48 MDL No:MFCD22052654
Product Description
Catalog Number:
AG00HY48
Chemical Name:
3(2H)-Pyridazinone, 5-iodo-2-methyl-
CAS Number:
153239-91-9
Molecular Formula:
C5H5IN2O
Molecular Weight:
236.0105
MDL Number:
MFCD22052654
IUPAC Name:
5-iodo-2-methylpyridazin-3-one
InChI:
InChI=1S/C5H5IN2O/c1-8-5(9)2-4(6)3-7-8/h2-3H,1H3
InChI Key:
ZZVTUADLCFBPGZ-UHFFFAOYSA-N
SMILES:
Cn1ncc(cc1=O)I
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.945g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.012g/mol
Monoisotopic Mass:
235.945g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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