8-Bromo-3,4-dihydro-2H-1,4-benzoxazine - CAS 625394-65-2

Catalog:	BB031646
Product Name:	8-Bromo-3,4-dihydro-2H-1,4-benzoxazine
CAS:	625394-65-2
Synonyms:	8-bromo-3,4-dihydro-2H-1,4-benzoxazine; 8-bromo-3,4-dihydro-2H-1,4-benzoxazine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	8-bromo-3,4-dihydro-2H-1,4-benzoxazine
Description:	8-Bromo-3,4-dihydro-2H-1,4-benzoxazine (CAS# 625394-65-2 ) is a useful research chemical.
Molecular Weight:	214.06
Molecular Formula:	C8H8BrNO
Canonical SMILES:	C1COC2=C(N1)C=CC=C2Br
InChI:	InChI=1S/C8H8BrNO/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-3,10H,4-5H2
InChI Key:	NUVCHIRBNLDKJQ-UHFFFAOYSA-N
LogP:	2.39140

Publication Number	Title	Priority Date
WO-2021130638-A1	Diacylglycerol kinase modulating compounds	20191224
WO-2020243459-A1	Thiadiazolyl derivatives as dna polymerase theta inhibitors	20190531
US-2019381019-A1	Pyrazole derivatives as malt1 inhibitors	20180618
KR-20210024548-A	Pyrazole derivatives as MALT1 inhibitors	20180618
US-11040031-B2	Pyrazole derivatives as MALT1 inhibitors	20180618

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Related Functional Groups

Benzoxazines

[3026594-91-9]
(S)-8-Bromo-6-fluoro-3-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-5-amine
[10128-55-9]
N-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-2-naphthalenesulfonamide
[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
[1780189-83-4]
5-Methoxy-1H-benzo[d][1,3]oxazin-2(4H)-one
[154598-52-4]
(S)-6-Chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one

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:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.97893
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	212.97893
Rotatable Bond Count:	0
Topological Polar Surface Area:	21.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3