AG00DF1D

475994-60-6 | 8-Bromo-2H-isoquinolin-1-one

AG00DF1D

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CAS Number	475994-60-6
Catalog Number	AG00DF1D(AGN-PC-09MQSG)
Chemical Name	8-Bromo-2H-isoquinolin-1-one
IUPAC Name	8-bromo-2H-isoquinolin-1-one
InChI	InChI=1S/C9H6BrNO/c10-7-3-1-2-6-4-5-11-9(12)8(6)7/h1-5H,(H,11,12)
InChI Key	NQMZAFRCYDJSEU-UHFFFAOYSA-N
MDL Number	MFCD11858429
Molecular Formula	C9H6BrNO
Molecular Weight	224.0540
SMILES	C1=CC2=C(C(=C1)Br)C(=NC=C2)O
Synonyms	8-Bromoisoquinolin-1(2H)-one, 475994-60-6, 8-bromoisoquinolin-1-ol, 8-BROMO-2H-ISOQUINOLIN-1-ONE, 8-bromo-1,2-dihydroisoquinolin-1-one, AK-31791, 8-bromo-1-isoquinolinol, SCHEMBL3117561, 8-Bromo-2H-isoquinoline-1-one, 8-Bromoisoquinoline-1(2H)-one, CTK4J0121, KS-00000HQL, DTXSID90680956, NQMZAFRCYDJSEU-UHFFFAOYSA-N, 1(2H)-Isoquinolinone, 8-bromo-, BCP28225, ZX-RL001718, ANW-50579, MFCD11858429, ZINC64033547, AKOS015834669, AKOS025395601, ACN-036092, CS-W006623, FCH1376764, FS-3004, RP27500, SB13074, BR-31791, CJ-20968, OR300126, QC-11662, SC-53829, SY075787, AB0025039, AB1010395, AJ-114610, AX8160371, DB-070832, 4CH-008585, AM20051210, FT-0710566, W6427, MFCD11858429 (95%), C-0611, S-6116, AS-813/43502081, J-519402, C9H6BrNO, 8-bromoisoquinolin-1-ol, 95% - 1G 1g,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.963g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	224.057g/mol
Monoisotopic Mass	222.963g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	0
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

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