AG00ECGO

5876-51-7 | 1-Iodo-3,4-methylenedioxybenzene

AG00ECGO

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CAS Number	5876-51-7
Catalog Number	AG00ECGO(AGN-PC-0JMQ8P)
Chemical Name	1-Iodo-3,4-methylenedioxybenzene
IUPAC Name	5-iodo-1,3-benzodioxole
InChI	InChI=1S/C7H5IO2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3H,4H2
InChI Key	NMMCBIXYIYQHCP-UHFFFAOYSA-N
MDL Number	MFCD00079766
Molecular Formula	C7H5IO2
Molecular Weight	248.0179
SMILES	IC1=CC2=C(OCO2)C=C1
Synonyms	5876-51-7, 5-iodobenzo[d][1,3]dioxole, 1-Iodo-3,4-methylenedioxybenzene, 5-iodo-2h-1,3-benzodioxole, 5-Iodo-1,3-benzodioxole, 5-Iodo-benzo[1,3]dioxole, 5-IODOBENZO[1,3]DIOXOLE, NMMCBIXYIYQHCP-UHFFFAOYSA-N, AC1L3D7P, AC1Q4P8U, 1,3-Benzodioxole,5-iodo-, 3,4-methylenedioxyiodobenzene, 1,3-Benzodioxole, 5-iodo-, 5-Iodo-1,3-benzodioxole #, SCHEMBL3117045, CTK5A8840, DTXSID00207491, 4-iodo-1,2-methylenedioxybenzene, ACT03842, ZINC2571866, 4-iodo-1,2-(methylenedioxy)benzene, CI-310, MFCD00079766, 5-Iodo-1,3-benzodioxole, AldrichCPR, AKOS009319648, AS02215, CS-W022396, MCULE-8173788042, RP28789, SB17869, AJ-41943, AS-50230, CJ-09927, DB-019222, ST2412054, TR-020404, 4CH-014570, FT-0653142, Y6308, C-5629, I14-4646, F8881-5286, Z1416282818, C7H5IO2, CID138620, ZINC02571866, A8300,

Complexity	129
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.933g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	248.019g/mol
Monoisotopic Mass	247.933g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	18.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335-H412
Packing Group
Precautionary statements	P261-P273-P305+P351+P338
UN Code

Certificate of Analysis

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