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1190312-94-7 | 1H-Indazol-6-ol, 3-iodo-7-methyl-
CAS No: 1190312-94-7 Catalog No: AG000HKK MDL No:
Product Description
Catalog Number:
AG000HKK
Chemical Name:
1H-Indazol-6-ol, 3-iodo-7-methyl-
CAS Number:
1190312-94-7
Molecular Formula:
C8H7IN2O
Molecular Weight:
274.0584
IUPAC Name:
3-iodo-7-methyl-2H-indazol-6-ol
InChI:
InChI=1S/C8H7IN2O/c1-4-6(12)3-2-5-7(4)10-11-8(5)9/h2-3,12H,1H3,(H,10,11)
InChI Key:
VTBRQKGMWCISDD-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1C)[nH]nc2I
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.96g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.061g/mol
Monoisotopic Mass:
273.96g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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