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173459-53-5 | 1H-Indazole-1-carboxylic acid, 7-aMino-, 1,1-diMethylethyl ester
CAS No: 173459-53-5 Catalog No: AG001YX8 MDL No:MFCD12827768
Product Description
Catalog Number:
AG001YX8
Chemical Name:
1H-Indazole-1-carboxylic acid, 7-aMino-, 1,1-diMethylethyl ester
CAS Number:
173459-53-5
Molecular Formula:
C12H15N3O2
Molecular Weight:
233.2664
MDL Number:
MFCD12827768
IUPAC Name:
tert-butyl 7-aminoindazole-1-carboxylate
InChI:
InChI=1S/C12H15N3O2/c1-12(2,3)17-11(16)15-10-8(7-14-15)5-4-6-9(10)13/h4-7H,13H2,1-3H3
InChI Key:
HNOIGXWKRHPKMS-UHFFFAOYSA-N
SMILES:
Nc1cccc2c1n(nc2)C(=O)OC(C)(C)C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.271g/mol
Monoisotopic Mass:
233.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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