AG00342P

71759-87-0 | 4-Iodo-1-methyl-1H-imidazole

AG00342P

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CAS Number	71759-87-0
Catalog Number	AG00342P(AGN-PC-0KKVGC)
Chemical Name	4-Iodo-1-methyl-1H-imidazole
IUPAC Name	4-iodo-1-methylimidazole
InChI	InChI=1S/C4H5IN2/c1-7-2-4(5)6-3-7/h2-3H,1H3
InChI Key	HUQSHNLGOKQVHA-UHFFFAOYSA-N
MDL Number	MFCD01632214
Molecular Formula	C4H5IN2
Molecular Weight	208.0004
SMILES	Cn1cc(nc1)I
Synonyms	4-Iodo-1-methyl-1H-imidazole, 71759-87-0, 4-iodo-1-methylimidazole, 4-iodo-1-methyl-imidazole, 1H-Imidazole, 4-iodo-1-methyl-, MFCD01632214, PubChem8046, AC1MCMZO, ACMC-209ok1, SCHEMBL84075, 4-Iodo-I-methyl-1H-imidazole, 1-Methyl-4-iodo-1H-imidazole, 4-iodo-1-methyl-1-H-imidazole, CTK8B2222, HUQSHNLGOKQVHA-UHFFFAOYSA-, DTXSID80378476, HUQSHNLGOKQVHA-UHFFFAOYSA-N, ACN-C000893, KS-000003WT, ZINC2382639, ANW-36095, BBL102215, CI-069, STL556014, AKOS015906527, AC-4601, CS-W003987, PB23238, PS-3336, QC-4534, RP04643, VI10147, AJ-34892, AK-29464, AM804272, AN-11807, BC220440, BR-29464, CJ-08164, H317, SC-06489, SY008696, AB0012978, DB-055567, I2146M500, ST1261403, 4CH-001598, FT-0641364, MFCD01632214 (98%), B-4766, 759I870, I14-2140, J-515543, InChI=1/C4H5IN2/c1-7-2-4(5)6-3-7/h2-3H,1H3, C4H5IN2, ZINC02382639, ACN-027141, CID2773463,

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	0.7

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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