AG00D9KF

511533-38-3 | 5-Iodo-1-Indanone

AG00D9KF

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CAS Number	511533-38-3
Catalog Number	AG00D9KF(AGN-PC-079S6H)
Chemical Name	5-Iodo-1-Indanone
IUPAC Name	5-iodo-2,3-dihydroinden-1-one
InChI	InChI=1S/C9H7IO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2
InChI Key	XVDWDHAAIWZKRU-UHFFFAOYSA-N
MDL Number	MFCD09744086
Molecular Formula	C9H7IO
Molecular Weight	258.0558
SMILES	O=C1CCC2=C1C=CC(I)=C2
Synonyms	511533-38-3, 5-Iodo-2,3-dihydro-1H-inden-1-one, 5-IODO-1-INDANONE, 2,3-Dihydro-5-iodoinden-1-one, 5-iodo-2,3-dihydroinden-1-one, AK-29326, MFCD09744086, PubChem17862, 5-IODOINDAN-1-ONE, SCHEMBL16082766, CTK4J3767, DTXSID20661192, 5-iodanyl-2,3-dihydroinden-1-one, KS-00000L4J, ZX-AT002998, ANW-52511, CI-129, ZINC39952312, AKOS015853853, 2,3-Dihydro-5-iodo-1H-inden-1-one, FCH1323772, MB07544, OR17925, PS-3993, RP06281, 2,3-Dihydro-5-iodo-1-oxo-1H-indene, 1H-Inden-1-one,2,3-dihydro-5-iodo-, ACM511533383, SC-24188, AB0000769, AB1006441, AJ-101289, AX8041745, ST2418794, TC-066207, 4CH-014023, CS-0001932, FT-0646278, Y5457, S-0138, 222250A, A828465, I14-5692, J-507000, C9H7IO, ACN-030651, 1H-INDEN-1-ONE, 2,3-DIHYDRO-5-IODO-,

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	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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