AG00924R

1175271-86-9 | 5-BROMOISOQUINOLIN-3-OL

AG00924R

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CAS Number	1175271-86-9
Catalog Number	AG00924R(AGN-PC-0WAG9F)
Chemical Name	5-BROMOISOQUINOLIN-3-OL
IUPAC Name	5-bromo-2H-isoquinolin-3-one
InChI	InChI=1S/C9H6BrNO/c10-8-3-1-2-6-5-11-9(12)4-7(6)8/h1-5H,(H,11,12)
InChI Key	PEPBAJBUKPWIEN-UHFFFAOYSA-N
MDL Number	MFCD11040413
Molecular Formula	C9H6BrNO
Molecular Weight	224.0540
SMILES	BrC=1C2=CC(NC=C2C=CC1)=O
Synonyms	5-BROMOISOQUINOLIN-3-OL, 1175271-86-9, 5-Bromoisoquinolin-3(2H)-one, 5-bromo-2H-isoquinolin-3-one, SCHEMBL2747957, CTK8A0863, DTXSID60724492, PEPBAJBUKPWIEN-UHFFFAOYSA-N, 3(2H)-Isoquinolinone, 5-bromo-, ANW-60926, MFCD11040413, ZINC82048392, 3-HYDROXY-5-BROMOISOQUINOLINE, AS-40862, SC-65842, TC-149671, BB 0262095, Y5733, C9H6BrNO, 5-bromo-3(2H)-Isoquinolinone, 5-bromoisoquinolin-3-ol, 95% - 1G 1g, N/A,

Complexity	361
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	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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