AG00FA9J

68755-31-7 | 5,6-DICHLORO (DIFLUORO)-INDANONE

AG00FA9J

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CAS Number	68755-31-7
Catalog Number	AG00FA9J(AGN-PC-03VSDJ)
Chemical Name	5,6-DICHLORO (DIFLUORO)-INDANONE
IUPAC Name	5,6-dichloro-2,3-dihydroinden-1-one
InChI	InChI=1S/C9H6Cl2O/c10-7-3-5-1-2-9(12)6(5)4-8(7)11/h3-4H,1-2H2
InChI Key	KSTYRFWOQUWBCW-UHFFFAOYSA-N
MDL Number	MFCD00012780
Molecular Formula	C9H6Cl2O
Molecular Weight	201.0493
SMILES	O=C1CCC2=C1C=C(Cl)C(Cl)=C2
Synonyms	68755-31-7, 5,6-Dichloro-2,3-dihydro-1H-inden-1-one, 5,6-DICHLORO-INDANONE, 5,6-Dichloro-1-indanone, 5,6-DICHLORO (DIFLUORO)-INDANONE, 1H-Inden-1-one, 5,6-dichloro-2,3-dihydro-, 5,6-DICHLORO-2,3-DIHYDROINDEN-1-ONE, 5,6-DICHLOROINDAN-1-ONE, AK-42221, AMOT0811, SCHEMBL1512735, CTK7H3671, KS-00000OGS, DTXSID20628826, KSTYRFWOQUWBCW-UHFFFAOYSA-N, ZX-RL004016, ANW-46826, MFCD09032944, ZINC21999884, AKOS015850125, AB49372, CD-1892, CS-W006675, FCH1390593, GS-3813, RTC-066193, AC-23392, AJ-80068, AN-37990, BC218977, CJ-17183, OR301317, AB0000263, AB1007926, AX8209564, DB-074066, TC-066193, 4CH-010175, AM20041014, FT-0084169, FT-0658877, ST24029235, W7869, S-1035, I14-5136, C9H6Cl2O, ACN-030570,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.98g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	201.046g/mol
Monoisotopic Mass	199.98g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number