AG0074DT

200049-46-3 | 7-Bromo-2,3-dihydro-isoindol-1-one

AG0074DT

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CAS Number	200049-46-3
Catalog Number	AG0074DT(AGN-PC-00OV0X)
Chemical Name	7-Bromo-2,3-dihydro-isoindol-1-one
IUPAC Name	7-bromo-2,3-dihydroisoindol-1-one
InChI	InChI=1S/C8H6BrNO/c9-6-3-1-2-5-4-10-8(11)7(5)6/h1-3H,4H2,(H,10,11)
InChI Key	XTWPGJGLJLJZHW-UHFFFAOYSA-N
MDL Number	MFCD11848600
Molecular Formula	C8H6BrNO
Molecular Weight	212.0433
SMILES	BrC1=CC=CC2=C1C(=O)NC2
Synonyms	200049-46-3, 7-BROMO-2,3-DIHYDRO-ISOINDOL-1-ONE, 7-BROMOISOINDOLIN-1-ONE, 7-Bromo-2,3-dihydro-1H-isoindol-1-one, 1H-ISOINDOL-1-ONE, 7-BROMO-2,3-DIHYDRO-, 7-bromoisoindolinone, SCHEMBL3046612, CTK1A1958, DTXSID60571342, XTWPGJGLJLJZHW-UHFFFAOYSA-N, 7-bromo-2,3-dihydroisoindol-1-one, 0286AB, ANW-63869, MFCD11848600, ZINC34528931, AKOS015918253, AB64823, CB-2540, AJ-89113, AK-65804, AM803463, DS-15902, SC-36212, DB-066026, TX-017355, CS-0043271, FT-0697944, I14-8550, Z2039477470, C8H6BrNO, 1-(2-Bromoethyl)-2-methoxybenzene, L-1822, 36449-75-9,

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-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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