AG003N69

93439-37-3 | 2-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone

AG003N69

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CAS Number	93439-37-3
Catalog Number	AG003N69(AGN-PC-0KL03A)
Chemical Name	2-Chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
IUPAC Name	2-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
InChI	InChI=1S/C10H9ClO3/c11-6-8(12)7-1-2-9-10(5-7)14-4-3-13-9/h1-2,5H,3-4,6H2
InChI Key	ILEYSCVQRULQKW-UHFFFAOYSA-N
MDL Number	MFCD00099407
Molecular Formula	C10H9ClO3
Molecular Weight	212.6297
SMILES	ClCC(C1=CC=C(OCCO2)C2=C1)=O
Synonyms	6-Chloroacetyl-1,4-benzodioxane, 93439-37-3, 2-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone, 2-chloro-1-(2,3-dihydrobenzo[b][1,4]dioxin-7-yl)ethanone, ILEYSCVQRULQKW-UHFFFAOYSA-N, 2-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one, 2-chloro-1-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-ethanone, ACMC-20alz9, AC1MCX7T, SCHEMBL1535157, CTK5H2508, DTXSID70381636, ALBB-026238, ZINC4242320, 3613AF, BBL010702, MFCD00099407, SBB031742, STK298913, AKOS000111887, FS-4133, MCULE-9896880991, 6-Chloroacetyl-1,4-benzodioxane, 97%, DB-004195, ST4082426, TC-168156, FT-0766779, 2,3-Dihydro-6-(chloroacetyl)-1,4-benzodioxin, A-8081, I01-19614, 2-chloro-1-(2,3-dihydrobenzo[1,4]dioxin-6-yl)-ethanone, A3006/0126632, 2-chloro-1 -(2,3-dihydro-benzo[1,4]dioxin-6-yl)-ethanone, 2-chloro-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethanone, Ethanone, 2-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-, 1-(2H,3H-benzo[3,4-e]1,4-dioxan-6-yl)-2-chloroethan-1-one, 1-(2H,3H-benzo[3,4-e]1,4-dioxin-6-yl)-2-chloroethan-1-one, C10H9ClO3, ZINC04242320, CID2780178, Ethanone, 2-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)- (9CI),

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.024g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	212.629g/mol
Monoisotopic Mass	212.024g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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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