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

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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

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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:	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