AG000J72

1227270-79-2 | 3-Iodo-5-chloro-(1h)indazole-6-carboxylic methyl ester

AG000J72

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CAS Number	1227270-79-2
Catalog Number	AG000J72(AGN-PC-0WAMH1)
Chemical Name	3-Iodo-5-chloro-(1h)indazole-6-carboxylic methyl ester
IUPAC Name	methyl 5-chloro-3-iodo-2H-indazole-6-carboxylate
InChI	InChI=1S/C9H6ClIN2O2/c1-15-9(14)4-3-7-5(2-6(4)10)8(11)13-12-7/h2-3H,1H3,(H,12,13)
InChI Key	MNBVUYGQRIXKAI-UHFFFAOYSA-N
MDL Number	MFCD16875822
Molecular Formula	C9H6ClIN2O2
Molecular Weight	336.5136
SMILES	O=C(C1=CC2=C(C=C1Cl)C(I)=NN2)OC
Synonyms	1227270-79-2, Methyl 5-chloro-3-iodo-1H-indazole-6-carboxylate, 3-Iodo-5-chloro-(1H)indazole-6-carboxylic methyl ester, 3-Iodo-5-chloro-1H-indazole-6-carboxylic acid methyl ester, MFCD16875822, ZINC96321157, AKOS027254103, AK204362, DS-10360, W-1873, methyl 5-chloro-3-iodo-2H-indazole-6-carboxylate, 1H-Indazole-6-carboxylic acid, 5-chloro-3-iodo-, methyl ester, Methyl 3-iodo-5-chloro-1H-indazole-6-carboxylate,

Complexity	267
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	335.916g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	336.513g/mol
Monoisotopic Mass	335.916g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55A^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

Certificate of Analysis

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