AG0005B7

101714-35-6 | 4H-1-Benzopyran-4-one, 2,3-dihydro-6-iodo-

AG0005B7

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CAS Number	101714-35-6
Catalog Number	AG0005B7(AGN-PC-0KWTA5)
Chemical Name	4H-1-Benzopyran-4-one, 2,3-dihydro-6-iodo-
IUPAC Name	6-iodo-2,3-dihydrochromen-4-one
InChI	InChI=1S/C9H7IO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2
InChI Key	SDUOLEARZNZVAN-UHFFFAOYSA-N
MDL Number	MFCD01319018
Molecular Formula	C9H7IO2
Molecular Weight	274.0552
SMILES	IC1=CC=C2OCCC(=O)C2=C1
Synonyms	6-iodochroman-4-one, 101714-35-6, 4H-1-Benzopyran-4-one,2,3-dihydro-6-iodo-, 4H-1-Benzopyran-4-one, 2,3-dihydro-6-iodo-, AC1MS8BO, ACMC-1BO5H, SCHEMBL67612, CTK4A0150, DTXSID40393842, SDUOLEARZNZVAN-UHFFFAOYSA-N, 6-iodo-2,3-dihydrochromen-4-one, ZINC4208874, 0444AA, ANW-71700, AKOS009328865, AB08840, 6-iodo-2,3-dihydro-4H-chromen-4-one, AJ-48917, AX8109386, RT-010668, FT-0750550, 6-Iodo-2,3-dihydro-4H-1-benzopyran-4-one, C-0030, I14-39260, C9H7IO2, CID3580262,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	273.949g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	274.057g/mol
Monoisotopic Mass	273.949g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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