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1227270-54-3 | 1H-Indazole-6-carboxylic acid, 3-iodo-5-methoxy-, methyl ester
CAS No: 1227270-54-3 Catalog No: AG000J69 MDL No:
Product Description
Catalog Number:
AG000J69
Chemical Name:
1H-Indazole-6-carboxylic acid, 3-iodo-5-methoxy-, methyl ester
CAS Number:
1227270-54-3
Molecular Formula:
C10H9IN2O3
Molecular Weight:
332.0945
IUPAC Name:
methyl 3-iodo-5-methoxy-2H-indazole-6-carboxylate
InChI:
InChI=1S/C10H9IN2O3/c1-15-8-4-5-7(12-13-9(5)11)3-6(8)10(14)16-2/h3-4H,1-2H3,(H,12,13)
InChI Key:
MFDCLAQHQIUGHQ-UHFFFAOYSA-N
SMILES:
COc1cc2c(I)n[nH]c2cc1C(=O)OC
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.966g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.097g/mol
Monoisotopic Mass:
331.966g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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