AG003E03

536760-32-4 | 1-Benzyl-4-iodo-imidazole

AG003E03

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CAS Number	536760-32-4
Catalog Number	AG003E03(AGN-PC-0086KH)
Chemical Name	1-Benzyl-4-iodo-imidazole
IUPAC Name	1-benzyl-4-iodoimidazole
InChI	InChI=1S/C10H9IN2/c11-10-7-13(8-12-10)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2
InChI Key	JJPHXVZRZPAFBC-UHFFFAOYSA-N
MDL Number	MFCD06412564
Molecular Formula	C10H9IN2
Molecular Weight	284.0963
SMILES	IC1=CN(CC2=CC=CC=C2)C=N1
Synonyms	1-Benzyl-4-iodoimidazole, 536760-32-4, 1-benzyl-4-iodo-1H-imidazole, 1-benzyl-4-iodo-imidazole, 1H-Imidazole, 4-iodo-1-(phenylmethyl)-, 4-Iodo-1-benzylimidazole, SCHEMBL3672494, CTK4J8582, KS-00000DFN, DTXSID60464508, JJPHXVZRZPAFBC-UHFFFAOYSA-N, 5063AJ, MFCD06412564, ZINC14985568, AKOS022175694, FCH1323886, TRA0057048, AJ-66356, AS-31161, BC671165, CJ-14840, SY011828, AB0060871, AX8056776, DB-071730, TC-306655, CS-0060528, FT-0647165, W-2798, MFCD06412564 (97+%), C10H9IN2, CID11391960, 118939-09-6,

Complexity	157
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	283.981g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	284.1g/mol
Monoisotopic Mass	283.981g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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