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1234616-44-4 | 1H-Indazole-5-carboxylic acid, 3-iodo-1-methyl-, methyl ester
CAS No: 1234616-44-4 Catalog No: AG000KNH MDL No:MFCD15071440
Product Description
Catalog Number:
AG000KNH
Chemical Name:
1H-Indazole-5-carboxylic acid, 3-iodo-1-methyl-, methyl ester
CAS Number:
1234616-44-4
Molecular Formula:
C10H9IN2O2
Molecular Weight:
316.0951
MDL Number:
MFCD15071440
IUPAC Name:
methyl 3-iodo-1-methylindazole-5-carboxylate
InChI:
InChI=1S/C10H9IN2O2/c1-13-8-4-3-6(10(14)15-2)5-7(8)9(11)12-13/h3-5H,1-2H3
InChI Key:
LVSOFRKXDZQFIR-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)c(I)nn2C
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:
0
Isotope Atom Count:
0
Molecular Weight:
316.098g/mol
Monoisotopic Mass:
315.971g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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