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290368-03-5 | 1H-Indazole-1-carboxylic acid, 3-iodo-5-methoxy-, 1,1-dimethylethyl ester
CAS No: 290368-03-5 Catalog No: AG002VAB MDL No:
Product Description
Catalog Number:
AG002VAB
Chemical Name:
1H-Indazole-1-carboxylic acid, 3-iodo-5-methoxy-, 1,1-dimethylethyl ester
CAS Number:
290368-03-5
Molecular Formula:
C13H15IN2O3
Molecular Weight:
374.1743
IUPAC Name:
tert-butyl 3-iodo-5-methoxyindazole-1-carboxylate
InChI:
InChI=1S/C13H15IN2O3/c1-13(2,3)19-12(17)16-10-6-5-8(18-4)7-9(10)11(14)15-16/h5-7H,1-4H3
InChI Key:
ZPNWGJUYQHKVOE-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(I)nn2C(=O)OC(C)(C)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.013g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.178g/mol
Monoisotopic Mass:
374.013g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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