AG0058R0

827316-43-8 | Ethyl 3-iodo-1H-pyrazole-4-carboxylate

AG0058R0

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CAS Number	827316-43-8
Catalog Number	AG0058R0(AGN-PC-0OIQC2)
Chemical Name	Ethyl 3-iodo-1H-pyrazole-4-carboxylate
IUPAC Name	ethyl 5-iodo-1H-pyrazole-4-carboxylate
InChI	InChI=1S/C6H7IN2O2/c1-2-11-6(10)4-3-8-9-5(4)7/h3H,2H2,1H3,(H,8,9)
InChI Key	GCZGLIKEVZAURZ-UHFFFAOYSA-N
MDL Number	MFCD18072591
Molecular Formula	C6H7IN2O2
Molecular Weight	266.0365
SMILES	O=C(C1=CNN=C1I)OCC
Synonyms	ethyl 3-iodo-1H-pyrazole-4-carboxylate, 827316-43-8, Ethyl3-iodo-1H-pyrazole-4-carboxylate, ethyl 5-iodo-1H-pyrazole-4-carboxylate, 3-Iodo-1H-pyrazole-4-carboxylic acid ethyl ester, 1H-Pyrazole-4-carboxylic acid, 3-iodo-, ethyl ester, 3-Iodopyrazole-4-carboxylic acid ethyl ester, SCHEMBL416936, CTK3D7177, KS-00000HWW, DTXSID60670400, GCZGLIKEVZAURZ-UHFFFAOYSA-N, ethyl 3-iodopyrazole-4-carboxylate, CS-M3427, ANW-47575, CE-828, MFCD18072591, MFCD20923458, ZINC64034036, AKOS015919732, ethyl-3-iodo-1H-pyrazole-4-carboxylate, Ethyl-5-iodo-1H-pyrazole-4-carboxylate, AK-81395, BR-81395, CJ-20988, DS-16217, EN002177, AB0026882, AJ-114714, TC-136320, 4CH-003357, FT-0767325, ST24030568, W8635, S-6499, W-3061, C6H7IN2O2, ACN-043751,

Complexity	154
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	265.955g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	266.038g/mol
Monoisotopic Mass	265.955g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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