AG00C86N

34091-51-5 | 5-Iodo-1-methyl-1H-pyrazole

AG00C86N

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CAS Number	34091-51-5
Catalog Number	AG00C86N(AGN-PC-00M3QF)
Chemical Name	5-Iodo-1-methyl-1H-pyrazole
IUPAC Name	5-iodo-1-methylpyrazole
InChI	InChI=1S/C4H5IN2/c1-7-4(5)2-3-6-7/h2-3H,1H3
InChI Key	RJYWUQWCLZYCTI-UHFFFAOYSA-N
MDL Number	MFCD11109327
Molecular Formula	C4H5IN2
Molecular Weight	208.0004
SMILES	IC1=CC=N[N]1C
Synonyms	5-iodo-1-methyl-1H-pyrazole, 34091-51-5, 5-iodo-1-methylpyrazole, 1-Methyl-5-iodopyrazole, 1H-Pyrazole, 5-iodo-1-methyl-, MFCD11109327, 1H-Pyrazole,5-iodo-1-methyl-, 1-Methyl-5-iodo-1H-pyrazole, SCHEMBL1529670, CTK4H1726, KS-00000DRM, DTXSID60537246, RJYWUQWCLZYCTI-UHFFFAOYSA-N, CS-D0852, ANW-50834, SBB093950, STL415220, ZINC26340339, 5-Iodo-1-methyl-1H-pyrazole, 97%, AKOS005264237, MCULE-2407065536, RP26373, RP26374, SB10556, AJ-82238, AK-34754, AM803725, BR-34754, CJ-17448, DS-12669, SC-48948, SY037964, AB0024312, DB-068933, TR-014175, 4CH-007838, FT-0647071, I0963, ST24029495, W5558, MFCD11109327 (97%), S-4991, J-517631, I14-99779, C4H5IN2,

Complexity	66.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.95g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	208.002g/mol
Monoisotopic Mass	207.95g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	17.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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

Lot Number