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1788044-04-1 | 1-(3-Iodo-6-methyl-1H-indazol-1-yl)ethanone
CAS No: 1788044-04-1 Catalog No: AG00HZWS MDL No:MFCD28501542
Product Description
Catalog Number:
AG00HZWS
Chemical Name:
1-(3-Iodo-6-methyl-1H-indazol-1-yl)ethanone
CAS Number:
1788044-04-1
Molecular Formula:
C10H9IN2O
Molecular Weight:
300.0957
MDL Number:
MFCD28501542
IUPAC Name:
1-(3-iodo-6-methylindazol-1-yl)ethanone
InChI:
InChI=1S/C10H9IN2O/c1-6-3-4-8-9(5-6)13(7(2)14)12-10(8)11/h3-5H,1-2H3
InChI Key:
IPAZEINJZCFSOR-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)n(nc2I)C(=O)C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.976g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.099g/mol
Monoisotopic Mass:
299.976g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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