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129488-09-1 | 1H-Indazole-1-carboxylic acid, 5-nitro-, 1,1-dimethylethyl ester
CAS No: 129488-09-1 Catalog No: AG000Z6D MDL No:MFCD07779196
Product Description
Catalog Number:
AG000Z6D
Chemical Name:
1H-Indazole-1-carboxylic acid, 5-nitro-, 1,1-dimethylethyl ester
CAS Number:
129488-09-1
Molecular Formula:
C12H13N3O4
Molecular Weight:
263.2493
MDL Number:
MFCD07779196
IUPAC Name:
tert-butyl 5-nitroindazole-1-carboxylate
InChI:
InChI=1S/C12H13N3O4/c1-12(2,3)19-11(16)14-10-5-4-9(15(17)18)6-8(10)7-13-14/h4-7H,1-3H3
InChI Key:
YXAJFAVMXBRTMU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)cnn2C(=O)OC(C)(C)C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.091g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.253g/mol
Monoisotopic Mass:
263.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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