AG003N8X

57744-67-9 | 6-Iodo-2,3-dihydrobenzo[b][1,4]dioxine

AG003N8X

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CAS Number	57744-67-9
Catalog Number	AG003N8X(AGN-PC-0KKXCA)
Chemical Name	6-Iodo-2,3-dihydrobenzo[b][1,4]dioxine
IUPAC Name	6-iodo-2,3-dihydro-1,4-benzodioxine
InChI	InChI=1S/C8H7IO2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5H,3-4H2
InChI Key	HZTMYTXWFHBHDC-UHFFFAOYSA-N
MDL Number	MFCD00221460
Molecular Formula	C8H7IO2
Molecular Weight	262.0444
SMILES	IC1=CC2=C(OCCO2)C=C1
Synonyms	57744-67-9, 6-iodo-2,3-dihydro-1,4-benzodioxine, 6-Iodo-2,3-dihydrobenzo[b][1,4]dioxine, 3,4-Ethylenedioxyiodobenzene, MFCD00221460, 6-iodobenzodioxane, AC1MCQRU, ACMC-1AZSE, 6-Iodo-1,4-benzodioxane, AC1Q4P9P, SCHEMBL10341, 1-iodo-3,4-ethylenedioxybenzene, CTK5A7366, 1,2-Ethylenedioxy-4-iodobenzene, DTXSID40379868, HZTMYTXWFHBHDC-UHFFFAOYSA-N, ZINC4277237, RW3134, SBB054608, 6-iodo-2H,3H-benzo[e]1,4-dioxin, 2,3-dihydro-6-iodobenzo[1,4]dioxin, AKOS009157816, QC-2530, RP06353, 1,4-Benzodioxin,2,3-dihydro-6-iodo-, AJ-50061, AS-49407, TC-169990, FT-0621171, Y9528, 6-iodo-2,3-dihydro-1,4-benzodioxine, AldrichCPR, J-518805, 6-Iodo-1,4-benzodioxane, 95%, remainder mainly 5-isomer, C8H7IO2, ZINC04277237, ACN-042426, CID2776176,

Complexity	140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	261.949g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	262.046g/mol
Monoisotopic Mass	261.949g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	18.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅱ
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	UN 1760

Certificate of Analysis

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