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1158767-35-1 | 1H-Indazole-1-carboxylic acid, 6-iodo-, 1,1-dimethylethyl ester
CAS No: 1158767-35-1 Catalog No: AG000H1E MDL No:MFCD12408347
Product Description
Catalog Number:
AG000H1E
Chemical Name:
1H-Indazole-1-carboxylic acid, 6-iodo-, 1,1-dimethylethyl ester
CAS Number:
1158767-35-1
Molecular Formula:
C12H13IN2O2
Molecular Weight:
344.1483
MDL Number:
MFCD12408347
IUPAC Name:
tert-butyl 6-iodoindazole-1-carboxylate
InChI:
InChI=1S/C12H13IN2O2/c1-12(2,3)17-11(16)15-10-6-9(13)5-4-8(10)7-14-15/h4-7H,1-3H3
InChI Key:
ZGSZUTWMVHCCER-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)n(nc2)C(=O)OC(C)(C)C
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.002g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.152g/mol
Monoisotopic Mass:
344.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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