8-Bromoquinazolin-4(3H)-one - CAS 77150-35-7

Catalog:	BB035817
Product Name:	8-Bromoquinazolin-4(3H)-one
CAS:	77150-35-7
Synonyms:	8-bromo-3H-quinazolin-4-one; 8-bromo-3H-quinazolin-4-one

Technical Data

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Computed Properties

IUPAC Name:	8-bromo-3H-quinazolin-4-one
Description:	8-Bromoquinazolin-4(3H)-one (CAS# 77150-35-7) is a useful research chemical.
Molecular Weight:	225.04
Molecular Formula:	C8H5BrN2O
Canonical SMILES:	C1=CC2=C(C(=C1)Br)N=CNC2=O
InChI:	InChI=1S/C8H5BrN2O/c9-6-3-1-2-5-7(6)10-4-11-8(5)12/h1-4H,(H,10,11,12)
InChI Key:	YMPLBWWSJVLODH-UHFFFAOYSA-N
Boiling Point:	382.4 °C at 760 mmHg
Density:	1.805 g/cm³
MDL:	MFCD10699396
LogP:	1.68560

Publication Number	Title	Priority Date
EP-3253738-A1	Quinazolinones and azaquinazolinones as ubiquitin-specific protease 7 inhibitors	20150205
JP-2018504430-A	Quinazolinones and azaquinazolinones as ubiquitin-specific protease 7 inhibitors	20150205
US-10508098-B2	Quinazolinones and azaquinazolinones as ubiquitin-specific protease 7 inhibitors	20150205
US-10513507-B2	Quinazolinones and azaquinazolinones as ubiquitin-specific protease 7 inhibitors	20150205
US-10513508-B2	Quinazolinones and azaquinazolinones as ubiquitin-specific protease 7 inhibitors	20150205

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Related Functional Groups

Quinazolines

[199114-62-0]
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one
[202475-65-8]
N-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
[37793-53-6]
N10-(Trifluoroacetyl)pteroic acid
[58421-80-0]
4-Chloro-8-methylquinazoline
[67092-21-1]
2,5,6-Trichloroquinazoline
[103884-20-4]
2,5-Diamino-6-nitroquinazolin-4(3H)-one

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	229
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.95853
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	223.95853
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4