8-Bromoisoquinolin-1(2H)-one - CAS 475994-60-6

Catalog:	BB026348
Product Name:	8-Bromoisoquinolin-1(2H)-one
CAS:	475994-60-6
Synonyms:	8-bromo-2H-isoquinolin-1-one; 8-bromo-2H-isoquinolin-1-one

Technical Data

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Computed Properties

IUPAC Name:	8-bromo-2H-isoquinolin-1-one
Description:	8-Bromoisoquinolin-1(2H)-one (CAS# 475994-60-6) is a useful research chemical.
Molecular Weight:	224.05
Molecular Formula:	C9H6BrNO
Canonical SMILES:	C1=CC2=C(C(=C1)Br)C(=O)NC=C2
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
Boiling Point:	446.078 °C at 760 mmHg
Density:	1.62 g/cm³
MDL:	MFCD11858429
LogP:	2.29060

Publication Number	Title	Priority Date
WO-2020251974-A1	Smarca inhibitors and uses thereof	20190610
WO-2020210630-A1	Tricyclic degraders of ikaros and aiolos	20190412
CN-112074520-A	Tetracycloheteroaryl compounds	20180508
TW-202012415-A	Chemical compound	20180508
BR-112020021467-A2	TETRACYCLIC HETEROARYL COMPOUNDS	20180508

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	227
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.96328
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	222.96328
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2