AG008O3M

75092-26-1 | METHYL 4-IODO-1-METHYL-1H-PYRAZOLE-5-CARBOXYLATE

AG008O3M

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CAS Number	75092-26-1
Catalog Number	AG008O3M(AGN-PC-0JUR2I)
Chemical Name	METHYL 4-IODO-1-METHYL-1H-PYRAZOLE-5-CARBOXYLATE
IUPAC Name	methyl 4-iodo-2-methylpyrazole-3-carboxylate
InChI	InChI=1S/C6H7IN2O2/c1-9-5(6(10)11-2)4(7)3-8-9/h3H,1-2H3
InChI Key	OTYGSOJERQNQFY-UHFFFAOYSA-N
MDL Number	MFCD01459851
Molecular Formula	C6H7IN2O2
Molecular Weight	266.0365
SMILES	O=C(C1=C(I)C=NN1C)OC
Synonyms	Methyl 4-iodo-1-methyl-1H-pyrazole-5-carboxylate, 75092-26-1, 1H-Pyrazole-5-carboxylic acid, 4-iodo-1-methyl-, methyl ester, methyl 4-iodo-1-methylpyrazole-5-carboxylate, AC1LDRLK, TimTec1_000622, SCHEMBL16177237, CTK2G1176, KS-00000PSY, ZINC35731, DTXSID10350088, OTYGSOJERQNQFY-UHFFFAOYSA-N, 4-Iodo-1-methyl-1H-pyrazole-5-carboxylic acid methyl ester, HMS1535M06, ANW-45977, MFCD01459851, SBB074054, AKOS015898037, CS-W005734, MCULE-1949421027, MP-1685, AC-22743, AJ-08612, AK-86658, DS-18205, QC-11661, ST005506, AB0026565, TC-134722, 4CH-011526, FT-0715889, ST24025376, W8260, methyl 4-iodo-2-methylpyrazole-3-carboxylate, I11-0402, 4-iodo-2-methyl-2H-pyrazole-3-carboxylic acid methyl ester, C6H7IN2O2, CID673644, ZINC00035731,

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	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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