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1227266-92-3 | 1H-Indazole-6-carboxylic acid, 5-hydroxy-3-iodo-, methyl ester
CAS No: 1227266-92-3 Catalog No: AG000J28 MDL No:
Product Description
Catalog Number:
AG000J28
Chemical Name:
1H-Indazole-6-carboxylic acid, 5-hydroxy-3-iodo-, methyl ester
CAS Number:
1227266-92-3
Molecular Formula:
C9H7IN2O3
Molecular Weight:
318.0679
IUPAC Name:
methyl 5-hydroxy-3-iodo-2H-indazole-6-carboxylate
InChI:
InChI=1S/C9H7IN2O3/c1-15-9(14)5-2-6-4(3-7(5)13)8(10)12-11-6/h2-3,13H,1H3,(H,11,12)
InChI Key:
SUHHRXRVMDZIJO-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2[nH]nc(c2cc1O)I
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.95g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
318.07g/mol
Monoisotopic Mass:
317.95g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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