AG009HO8

141998-77-8 | Ethyl 5-iodo-1H-pyrazole-3-carboxylate

AG009HO8

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CAS Number	141998-77-8
Catalog Number	AG009HO8(AGN-PC-0035OU)
Chemical Name	Ethyl 5-iodo-1H-pyrazole-3-carboxylate
IUPAC Name	ethyl 5-iodo-1H-pyrazole-3-carboxylate
InChI	InChI=1S/C6H7IN2O2/c1-2-11-6(10)4-3-5(7)9-8-4/h3H,2H2,1H3,(H,8,9)
InChI Key	PKGRSCADNBDVRY-UHFFFAOYSA-N
MDL Number	MFCD14584693
Molecular Formula	C6H7IN2O2
Molecular Weight	266.0365
SMILES	O=C(C1=NNC(I)=C1)OCC
Synonyms	ETHYL 5-IODO-1H-PYRAZOLE-3-CARBOXYLATE, 141998-77-8, ethyl5-iodo-1H-pyrazole-3-carboxylate, 1H-Pyrazole-3-carboxylic acid, 5-iodo-, ethyl ester, SCHEMBL1403922, SCHEMBL20140876, DTXSID70566284, PKGRSCADNBDVRY-UHFFFAOYSA-N, MFCD14584693, ZINC66348301, AKOS015902188, FCH1385160, ethyl 3-iodo-1H-pyrazole-5-carboxylate, AK139470, AM806706, AS-40802, AJ-116487, AX8221509, A3068, FT-0752532, 5-Iodo-1H-pyrazole-3-carboxylic acid ethyl ester, I14-13502, ACN-052406,

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	1.5

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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