AG003MGE

552330-86-6 | 5-Bromo-2,3-dihydroisoindol-1-one

AG003MGE

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CAS Number	552330-86-6
Catalog Number	AG003MGE(AGN-PC-03R5QW)
Chemical Name	5-Bromo-2,3-dihydroisoindol-1-one
IUPAC Name	5-bromo-2,3-dihydroisoindol-1-one
InChI	InChI=1S/C8H6BrNO/c9-6-1-2-7-5(3-6)4-10-8(7)11/h1-3H,4H2,(H,10,11)
InChI Key	WJNKJYJCWXMBNV-UHFFFAOYSA-N
MDL Number	MFCD09701292
Molecular Formula	C8H6BrNO
Molecular Weight	212.0433
SMILES	BrC=1C=C2CNC(C2=CC1)=O
Synonyms	5-bromoisoindolin-1-one, 552330-86-6, 5-Bromo-2,3-dihydroisoindol-1-one, 5-bromo-2,3-dihydro-1H-isoindol-1-one, 5-BROMO-2,3-DIHYDRO-ISOINDOL-1-ONE, 5-BROMO-1-ISOINDOLINONE, 1H-ISOINDOL-1-ONE, 5-BROMO-2,3-DIHYDRO-, MFCD09701292, 5-bromoisoindolinone, ACMC-1AW2C, 5-bromo-1-oxo-isoindoline, SCHEMBL275805, 5-Bromo-1-isoindolinone,96%, CTK5A3253, DTXSID70626852, WJNKJYJCWXMBNV-UHFFFAOYSA-N, BCP26824, CS-D1613, EBD38628, ANW-49882, ZINC40448503, 5-bromoisoindolin-1-one, AldrichCPR, AKOS015835991, ACN-000022, CB-3667, PB29649, QC-2497, RP26650, SS-6037, TRA0057543, AC-28867, AK-29385, AN-27945, BR-29385, CJ-20156, SC-21910, SY024144, 5-bromo-2,3-dihydro-1H-isoindole-1-one, AB0025457, AB1010379, AJ-102781, RT-025035, ST2411887, 4CH-000584, AM20040704, B5328, FT-0084351, FT-0647177, W6925, S-6133, MFCD09701292 (95+%), J-516871, S14-0797, Z1741975271, 4-Bromo-2,3-dihydroisoindol-1-one;5-Bromo-1-oxo-isoindoline;5-Bromoisoindolin-1-one, C8H6BrNO, 5-bromoisoindolin-1-one, 95% - 1G 1g, A7996, C2255,

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