AG00GFY3

75092-25-0 | Methyl 4-iodo-1-methyl-1H-pyrazole-3-carboxylate

AG00GFY3

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CAS Number	75092-25-0
Catalog Number	AG00GFY3(AGN-PC-007PWI)
Chemical Name	Methyl 4-iodo-1-methyl-1H-pyrazole-3-carboxylate
IUPAC Name	methyl 4-iodo-1-methylpyrazole-3-carboxylate
InChI	InChI=1S/C6H7IN2O2/c1-9-3-4(7)5(8-9)6(10)11-2/h3H,1-2H3
InChI Key	CGLLWUVTXPXZMG-UHFFFAOYSA-N
MDL Number	MFCD19703827
Molecular Formula	C6H7IN2O2
Molecular Weight	266.0365
SMILES	O=C(C1=NN(C)C=C1I)OC
Synonyms	Methyl 4-iodo-1-methyl-1H-pyrazole-3-carboxylate, 75092-25-0, methyl 4-iodo-1-methylpyrazole-3-carboxylate, PubChem23665, SCHEMBL15277592, DTXSID50463823, 1H-Pyrazole-3-carboxylic acid, 4-iodo-1-methyl-, methyl ester, ACN-C000858, MFCD19703827, SBB074056, ZINC66349444, AKOS015901066, DS-6767, MCULE-8954751113, AK139757, DA-16756, AJ-116563, CS-0041306, FT-0757669, I14-15865, 4-iodo-1-methyl-1H-Pyrazole-3-carboxylic acid methyl ester, CID11369118, Methyl 4-iodo-1-methyl-pyrazole-3-carboxylate,

Complexity	165
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	0
Isotope Atom Count	0
Molecular Weight	266.038g/mol
Monoisotopic Mass	265.955g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	44.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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