AG003N3N

675109-26-9 | 6-Bromoisoindolin-1-one

AG003N3N

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CAS Number	675109-26-9
Catalog Number	AG003N3N(AGN-PC-03MC0W)
Chemical Name	6-Bromoisoindolin-1-one
IUPAC Name	6-bromo-2,3-dihydroisoindol-1-one
InChI	InChI=1S/C8H6BrNO/c9-6-2-1-5-4-10-8(11)7(5)3-6/h1-3H,4H2,(H,10,11)
InChI Key	HYTCKZQYVIURAW-UHFFFAOYSA-N
MDL Number	MFCD11848599
Molecular Formula	C8H6BrNO
Molecular Weight	212.0433
SMILES	O=C1NCC2=C1C=C(Br)C=C2
Synonyms	6-bromoisoindolin-1-one, 675109-26-9, 6-bromo-2,3-dihydro-1H-isoindol-1-one, 6-Bromo-2,3-dihydroisoindolin-1-one, 6-BROMO-2,3-DIHYDRO-ISOINDOL-1-ONE, 1H-ISOINDOL-1-ONE, 6-BROMO-2,3-DIHYDRO-, 6-bromo-2,3-dihydroisoindol-1-one, ACMC-209yl0, SCHEMBL391991, CTK5C6258, 6-aBROMOISOINDOLIN-a?-aONE, DTXSID50623521, HYTCKZQYVIURAW-UHFFFAOYSA-N, BCP27152, EBD36228, KS-000000JZ, ANW-49090, MFCD11848599, ZINC66339815, AKOS015898903, ACN-000023, CB-3721, CM10602, CS-W000036, PB29879, QC-2628, RP26649, SS-6039, AK-41679, AN-27643, BR-41679, CJ-21304, SC-28305, SY017598, AB0026188, AJ-116241, DB-013470, RT-000002, 4CH-000585, A9041, AM20040995, FT-0660821, ST24029698, W7795, MFCD11848599 (95%), S-4904, J-518315, I14-10397, I14-12291, I14-12634, Z1741977426, C8H6BrNO, C2302,

Complexity	183
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.963g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	212.046g/mol
Monoisotopic Mass	210.963g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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