AG001D2Z

14548-40-4 | 1H-Inden-1-one, 2,3-dihydro-6-iodo-

AG001D2Z

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CAS Number	14548-40-4
Catalog Number	AG001D2Z(AGN-PC-079S6F)
Chemical Name	1H-Inden-1-one, 2,3-dihydro-6-iodo-
IUPAC Name	6-iodo-2,3-dihydroinden-1-one
InChI	InChI=1S/C9H7IO/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5H,2,4H2
InChI Key	CIMZMDUWHIFAHN-UHFFFAOYSA-N
MDL Number	MFCD09744087
Molecular Formula	C9H7IO
Molecular Weight	258.0557
SMILES	O=C1CCC2=C1C=C(I)C=C2
Synonyms	6-IODO-1-INDANONE, 14548-40-4, 6-Iodo-2,3-dihydro-1H-inden-1-one, 2,3-Dihydro-6-iodoinden-1-one, 6-iodo-2,3-dihydroinden-1-one, 1H-Inden-1-one, 2,3-dihydro-6-iodo-, PubChem17865, SCHEMBL10138376, CTK4C4558, DTXSID00661190, 6-iodanyl-2,3-dihydroinden-1-one, ANW-44817, CI-130, MFCD09744087, ZINC39952313, AKOS015853879, 2,3-Dihydro-6-iodo-1H-inden-1-one, RP06280, VZ30780, KS-00000L29, 1H-Inden-1-one,2,3-dihydro-6-iodo-, AK-28079, CJ-20027, DS-11216, SC-23728, AB0000884, AB1006447, AJ-101290, ST2418967, TC-066208, 4CH-013971, FT-0084186, FT-0650382, X3105, B-2122, 548I404, A808372, I14-5686, W-205625, Z1741979691, C9H7IO, ACN-030650,

Complexity	178
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	257.954g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	258.058g/mol
Monoisotopic Mass	257.954g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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

Lot Number