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1227266-89-8 | 1H-Indazole-6-carboxylic acid, 3-iodo-5-methyl-, methyl ester
CAS No: 1227266-89-8 Catalog No: AG000J2B MDL No:
Product Description
Catalog Number:
AG000J2B
Chemical Name:
1H-Indazole-6-carboxylic acid, 3-iodo-5-methyl-, methyl ester
CAS Number:
1227266-89-8
Molecular Formula:
C10H9IN2O2
Molecular Weight:
316.0951
IUPAC Name:
methyl 3-iodo-5-methyl-2H-indazole-6-carboxylate
InChI:
InChI=1S/C10H9IN2O2/c1-5-3-7-8(12-13-9(7)11)4-6(5)10(14)15-2/h3-4H,1-2H3,(H,12,13)
InChI Key:
MGHIMJDNQXSLCG-UHFFFAOYSA-N
SMILES:
Cc1cc2c(I)n[nH]c2cc1C(=O)OC
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.971g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.098g/mol
Monoisotopic Mass:
315.971g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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