8-Bromo-2H-1,4-benzoxazin-3(4H)-one - CAS 688363-48-6

Catalog:	BB033641
Product Name:	8-Bromo-2H-1,4-benzoxazin-3(4H)-one
CAS:	688363-48-6
Synonyms:	8-bromo-4H-1,4-benzoxazin-3-one; 8-bromo-4H-1,4-benzoxazin-3-one

Technical Data

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Computed Properties

IUPAC Name:	8-bromo-4H-1,4-benzoxazin-3-one
Description:	8-Bromo-2H-1,4-benzoxazin-3(4H)-one (CAS# 688363-48-6) is a useful research chemical.
Molecular Weight:	228.04
Molecular Formula:	C8H6BrNO2
Canonical SMILES:	C1C(=O)NC2=C(O1)C(=CC=C2)Br
InChI:	InChI=1S/C8H6BrNO2/c9-5-2-1-3-6-8(5)12-4-7(11)10-6/h1-3H,4H2,(H,10,11)
InChI Key:	FVGSWEPMUVKUDX-UHFFFAOYSA-N
LogP:	1.86510

Publication Number	Title	Priority Date
WO-2020243459-A1	Thiadiazolyl derivatives as dna polymerase theta inhibitors	20190531
US-10696655-B2	Therapeutic compounds and uses thereof	20160524
US-2019152949-A1	Therapeutic compounds and uses thereof	20160524
US-2020399244-A1	Therapeutic compounds and uses thereof	20160524
EP-3416960-A1	Novel compounds	20160218

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Related Functional Groups

Benzoxazines

[1365965-22-5]
2,2-Dimethyl-5-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one
[575474-01-0]
7-Amino-3,4-dihydro-2H-1,4-benzoxazine
[939759-05-4]
8-Chloro-3,4-dihydro-2H-1,4-benzoxazine
[154598-52-4]
(S)-6-Chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one
[888731-58-6]
5-Methyl-3,4-dihydro-2H-1,4-benzoxazine
[132522-81-7]
5-Nitro-2H-benzo[b][1,4]oxazin-3(4H)-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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	198
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.95819
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	226.95819
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6