AG00ECSP

628732-11-6 | 4,5-DIFLUOROINDAN-1-ONE

AG00ECSP

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CAS Number	628732-11-6
Catalog Number	AG00ECSP(AGN-PC-0NBWM2)
Chemical Name	4,5-DIFLUOROINDAN-1-ONE
IUPAC Name	4,5-difluoro-2,3-dihydroinden-1-one
InChI	InChI=1S/C9H6F2O/c10-7-3-1-5-6(9(7)11)2-4-8(5)12/h1,3H,2,4H2
InChI Key	FHKJIIXGCLYMCN-UHFFFAOYSA-N
MDL Number	MFCD07772124
Molecular Formula	C9H6F2O
Molecular Weight	168.1401
SMILES	O=C1CCC2=C1C=CC(F)=C2F
Synonyms	628732-11-6, 4,5-Difluoro-2,3-dihydro-1H-inden-1-one, 4,5-DIFLUORO-1-INDANONE, 4,5-Difluoroindan-1-one, 4,5-Difluoro-indan-1-one, 4,5-difluoro-2,3-dihydroinden-1-one, 1H-INDEN-1-ONE, 4,5-DIFLUORO-2,3-DIHYDRO-, AMOT0796, SCHEMBL1339423, CTK5B6426, DTXSID30446351, FHKJIIXGCLYMCN-UHFFFAOYSA-N, KS-00000KO7, ANW-53739, CD-862, MFCD07772124, ZINC19615431, AKOS012979870, AB42240, AC-2273, ACN-030543, CS-W009081, AJ-73983, AK-35917, AN-14121, AS-16172, CJ-16195, S968, AB0000809, AB1006459, ST2417895, TC-066158, TL8004298, 4,5-bis(fluoranyl)-2,3-dihydroinden-1-one, 4CH-013568, FT-0084175, FT-0646408, 1H-Inden-1-one,4,5-difluoro-2,3-dihydro-, A-5813, 732D116, A834058, I14-5205, C9H6F2O, CID10866724,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.039g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	168.143g/mol
Monoisotopic Mass	168.039g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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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