AG000Z6D

129488-09-1 | 1H-Indazole-1-carboxylic acid, 5-nitro-, 1,1-dimethylethyl ester

AG000Z6D

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CAS Number	129488-09-1
Catalog Number	AG000Z6D(AGN-PC-00ACLT)
Chemical Name	1H-Indazole-1-carboxylic acid, 5-nitro-, 1,1-dimethylethyl ester
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
MDL Number	MFCD07779196
Molecular Formula	C12H13N3O4
Molecular Weight	263.2493
SMILES	O=C(N1N=CC2=C1C=CC([N+]([O-])=O)=C2)OC(C)(C)C
Synonyms	129488-09-1, tert-Butyl 5-Nitro-1H-indazole-1-carboxylate, N-(1)-Boc-5-Nitro-Indazole, Tert-butyl 5-nitroindazole-1-carboxylate, 5-Nitroindazole-1-carboxylic acid tert-butyl ester, 1-Boc-5-nitro-1H-indazole, 1H-Indazole-1-carboxylic acid, 5-nitro-, 1,1-dimethylethyl ester, W-205314, SCHEMBL3368910, CTK8B8760, KS-00001ETV, DTXSID10467645, YXAJFAVMXBRTMU-UHFFFAOYSA-N, BCP17335, CS-M2130, ZINC8700333, AB3487, ANW-61200, MFCD07779196, AKOS015841617, RP06371, AJ-58352, CS-14596, SC-19859, AX8140633, TC-064155, Y5257, 5-Nitroindazole-1-carboxylicacidtert-butylester, 5-nitro-1-indazolecarboxylic acid tert-butyl ester, 5-nitro-indazole-1-carboxylic acid t-butyl ester, A805943, 5-nitro-indazole-1-carboxylic acid tert-butyl ester, 5-Nitro-1H-indazole-1-carboxylic acid tert-butyl ester, C12H13N3O4, CID11499917,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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