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1221178-70-6 | 1H-Indazole-1-carboxylic acid, 6-hydroxy-3-iodo-, 1,1-dimethylethyl ester
CAS No: 1221178-70-6 Catalog No: AG0016SP MDL No:
Product Description
Catalog Number:
AG0016SP
Chemical Name:
1H-Indazole-1-carboxylic acid, 6-hydroxy-3-iodo-, 1,1-dimethylethyl ester
CAS Number:
1221178-70-6
Molecular Formula:
C12H13IN2O3
Molecular Weight:
360.1477
IUPAC Name:
tert-butyl 6-hydroxy-3-iodoindazole-1-carboxylate
InChI:
InChI=1S/C12H13IN2O3/c1-12(2,3)18-11(17)15-9-6-7(16)4-5-8(9)10(13)14-15/h4-6,16H,1-3H3
InChI Key:
ZLLXWHKQJXYLRH-UHFFFAOYSA-N
SMILES:
O=C(n1nc(c2c1cc(O)cc2)I)OC(C)(C)C
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.997g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.151g/mol
Monoisotopic Mass:
359.997g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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