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1227267-16-4 | 1H-Indazole-6-carboxylic acid, 3-iodo-5-methoxy-
CAS No: 1227267-16-4 Catalog No: AG000J34 MDL No:
Product Description
Catalog Number:
AG000J34
Chemical Name:
1H-Indazole-6-carboxylic acid, 3-iodo-5-methoxy-
CAS Number:
1227267-16-4
Molecular Formula:
C9H7IN2O3
Molecular Weight:
318.0679
IUPAC Name:
3-iodo-5-methoxy-2H-indazole-6-carboxylic acid
InChI:
InChI=1S/C9H7IN2O3/c1-15-7-3-4-6(11-12-8(4)10)2-5(7)9(13)14/h2-3H,1H3,(H,11,12)(H,13,14)
InChI Key:
BVTKGILCAZCKBS-UHFFFAOYSA-N
SMILES:
COc1cc2c(I)n[nH]c2cc1C(=O)O
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:
1.7
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