AG003IZL

40774-41-2 | 3-Bromo-1-indanone

AG003IZL

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CAS Number	40774-41-2
Catalog Number	AG003IZL(AGN-PC-00FB8G)
Chemical Name	3-Bromo-1-indanone
IUPAC Name	3-bromo-2,3-dihydroinden-1-one
InChI	InChI=1S/C9H7BrO/c10-8-5-9(11)7-4-2-1-3-6(7)8/h1-4,8H,5H2
InChI Key	BSAIUCUXHVGXNK-UHFFFAOYSA-N
MDL Number	MFCD09800595
Molecular Formula	C9H7BrO
Molecular Weight	211.0553
SMILES	BrC1c2c(C(=O)C1)cccc2
Synonyms	3-Bromo-1-indanone, 40774-41-2, 3-Bromoindan-1-one, 3-Bromo-2,3-dihydro-1H-inden-1-one, 3-bromo-2,3-dihydroinden-1-one, 1H-Inden-1-one, 3-bromo-2,3-dihydro-, AK-32505, 3-bromo-indan-1-one, 3-Bromo indan-1-one, SCHEMBL3696925, CTK4I3733, DTXSID10471727, BSAIUCUXHVGXNK-UHFFFAOYSA-N, ZX-AT020666, ANW-72617, MFCD09800595, SBB054681, AKOS016007559, AN-1897, CS-W003645, FCH1393365, MB07683, OR11737, TRA0029859, KS-00000C68, 3-Bromo-2,3-dihydro-1-oxo-1H-indene, 1H-Inden-1-one,3-bromo-2,3-dihydro-, AS-20068, SY031995, 3-Bromo-2,3-dihydro-1H-inden- 1 -one, AB0063776, AX8084871, DB-070084, ST2417496, TC-070349, 4CH-015488, FT-0703562, Z4714, MFCD09800595 (97%), M-9806, C9H7BrO, CID11745912, A6805,

Complexity	178
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.968g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	211.058g/mol
Monoisotopic Mass	209.968g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2

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