AG002VAC

290368-00-2 | 1H-Indazole-1-carboxylic acid, 3-iodo-, 1,1-dimethylethyl ester

AG002VAC

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CAS Number	290368-00-2
Catalog Number	AG002VAC(AGN-PC-009TBM)
Chemical Name	1H-Indazole-1-carboxylic acid, 3-iodo-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 3-iodoindazole-1-carboxylate
InChI	InChI=1S/C12H13IN2O2/c1-12(2,3)17-11(16)15-9-7-5-4-6-8(9)10(13)14-15/h4-7H,1-3H3
InChI Key	DHNSGIOEVGLLOI-UHFFFAOYSA-N
MDL Number	MFCD09835520
Molecular Formula	C12H13IN2O2
Molecular Weight	344.1483
SMILES	C(=O)(OC(C)(C)C)[N]2C1=CC=CC=C1C(=N2)I
Synonyms	290368-00-2, 1-Boc-3-Iodo-1H-indazole, tert-butyl 3-iodo-1H-indazole-1-carboxylate, 1-Boc-3-iodoindazole, Tert-butyl 3-iodoindazole-1-carboxylate, AK-31628, 3-Iodo-indazole-1-carboxylic acid tert-butyl ester, SCHEMBL155708, CTK4G2622, DTXSID80467071, DHNSGIOEVGLLOI-UHFFFAOYSA-N, KS-00000HV7, ZX-RL000624, ANW-52214, MFCD09835520, ZINC19735939, AKOS015836918, 1-t-butoxycarbonyl-3-iodo-1H-indazole, CS-W006628, FCH2714454, MB07837, RTR-012708, SS-4437, ACM290368002, AJ-74727, BR-31628, CJ-16332, OR303121, SC-51149, SY027959, AB0023994, AX8161370, ST2413888, TR-012708, 1-(tert-Butoxycarbonyl)-3-iodo-1H-indazole, 4CH-008723, AM20050315, BB 0260409, FT-0678218, W5165, MFCD09835520 (95%), S-4225, Z-8195, I10-1133, 1H-Indazole-1-carboxylicacid, 3-iodo-, 1,1-dimethylethyl ester, 1H-INDAZOLE-1-CARBOXYLIC ACID, 3-IODO-, 1,1-DIMETHYLETHYL ESTER, C12H13IN2O2, CID11473390,

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

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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