AG003KJ5

52397-81-6 | 4,6-Dichloro-2,3-dihydro-1H-inden-1-one

AG003KJ5

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CAS Number	52397-81-6
Catalog Number	AG003KJ5(AGN-PC-0NI2WR)
Chemical Name	4,6-Dichloro-2,3-dihydro-1H-inden-1-one
IUPAC Name	4,6-dichloro-2,3-dihydroinden-1-one
InChI	InChI=1S/C9H6Cl2O/c10-5-3-7-6(8(11)4-5)1-2-9(7)12/h3-4H,1-2H2
InChI Key	BIGNWTAXBIQGAZ-UHFFFAOYSA-N
MDL Number	MFCD08276785
Molecular Formula	C9H6Cl2O
Molecular Weight	201.0493
SMILES	ClC1=CC(Cl)=C2CCC(=O)C2=C1
Synonyms	52397-81-6, 4,6-Dichloro-2,3-dihydro-1H-inden-1-one, 4,6-Dichloro-1-indanone, 4,6-dichloro-2,3-dihydroinden-1-one, 4,6-dichloroindanone, ACMC-20ade8, 4,6-Dichloroindan-1-one, AMOT0770, SCHEMBL2256507, CTK4J5849, KS-00000QJU, DTXSID90480438, BIGNWTAXBIQGAZ-UHFFFAOYSA-N, 4,6-Dichloro-1-indanone, 97%, 7390AB, ANW-68286, CD-151, MFCD08276785, ZINC16083113, AKOS010641410, AB44852, ACN-030601, NE40250, AJ-68190, AK-80505, DS-15984, DB-011257, TC-066192, 4,6-bis(chloranyl)-2,3-dihydroinden-1-one, CS-0042853, FT-0654367, ST24042628, 1H-Inden-1-one, 4,6-dichloro-2,3-dihydro-, A829058, I14-5130, C9H6Cl2O, 4,6-Dichloro-indan-1-one,

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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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