AG008BT0

885518-82-1 | Methyl 3-iodo-1H-indazole-6-carboxylate

AG008BT0

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CAS Number	885518-82-1
Catalog Number	AG008BT0(AGN-PC-0WADVL)
Chemical Name	Methyl 3-iodo-1H-indazole-6-carboxylate
IUPAC Name	methyl 3-iodo-2H-indazole-6-carboxylate
InChI	InChI=1S/C9H7IN2O2/c1-14-9(13)5-2-3-6-7(4-5)11-12-8(6)10/h2-4H,1H3,(H,11,12)
InChI Key	VSXHXVGWOSYULI-UHFFFAOYSA-N
MDL Number	MFCD07781616
Molecular Formula	C9H7IN2O2
Molecular Weight	302.0685
SMILES	O=C(C1=CC2=C(C=C1)C(I)=NN2)OC
Synonyms	Methyl 3-iodo-1H-indazole-6-carboxylate, 885518-82-1, 3-Iodo-1H-indazole-6-carboxylic acid methyl ester, METHYL 3-IODOINDAZOLE-6-CARBOXYLATE, AK-48570, methyl 3-iodo-2H-indazole-6-carboxylate, 3-Iodo-2H-indazole-6-carboxylic acid methyl ester, 3-Iodo-6-(1H)indazole carboxylic acid methyl ester, MFCD07781616, PubChem18069, KSC495C3D, SCHEMBL2671519, CTK3J5131, DTXSID40646284, VSXHXVGWOSYULI-UHFFFAOYSA-N, 1H-INDAZOLE-6-CARBOXYLIC ACID, 3-IODO-, METHYL ESTER, BCP26281, KS-000003AO, ZX-AT003918, ANW-48808, ZINC14983507, AKOS005258561, CM-2190, FCH1385727, OR60120, PB10467, PS-7125, RP06828, RTC-069015, 3-Iodo-6-(methoxycarbonyl)-1H-indazole, methyl 3-iodo-1H-indazole 6-carboxylate, AJ-65958, BR-48570, SC-54808, SY033613, AB0027290, AB1011635, AX8168069, DB-077908, ST1100736, TC-069015, 4CH-009222, AM20041316, CS-0006094, FT-0685802, W9108, MFCD07781616 (95%), C-1824, Z-8882, Z-8886, I10-1443, J-522184, 1H-INDAZOLE-6-CARBOXYLIC ACID,3-IODO-,METHYL ESTER, 3-Iodo-1H-indazole-6-carboxylic acid methyl ester, AldrichCPR, null, C9H7IN2O2, METHYL3-IODO-1H-INDAZOLE-6-CARBOXYLATE, methyl 3-iodo-1H-indazole-6-carboxylate, 95% - 1G 1g,

Complexity	237
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	301.955g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	302.071g/mol
Monoisotopic Mass	301.955g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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