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7-Bromo-2,2-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one

7-Bromo-2,2-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one - CAS 934993-58-5

Catalog:	BB040945
Product Name:	7-Bromo-2,2-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one
CAS:	934993-58-5
Synonyms:	7-bromo-2,2-dimethyl-4H-1,4-benzoxazin-3-one; 7-bromo-2,2-dimethyl-4H-1,4-benzoxazin-3-one

Technical Data

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Computed Properties

IUPAC Name:	7-bromo-2,2-dimethyl-4H-1,4-benzoxazin-3-one
Description:	7-Bromo-2,2-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS# 934993-58-5) is a useful research chemical.
Molecular Weight:	256.10
Molecular Formula:	C10H10BrNO2
Canonical SMILES:	CC1(C(=O)NC2=C(O1)C=C(C=C2)Br)C
InChI:	InChI=1S/C10H10BrNO2/c1-10(2)9(13)12-7-4-3-6(11)5-8(7)14-10/h3-5H,1-2H3,(H,12,13)
InChI Key:	SZPRSMJCVKHIIX-UHFFFAOYSA-N
LogP:	2.69660

Publication Number	Title	Priority Date
WO-2021018194-A1	Heterocyclic compounds as bcr-abl inhibitors	20190729
AU-2015220650-A1	New phenylazetidine, carboxylate or carboxamide compounds	20140221
CA-2939570-A1	New phenylazetidine, carboxylate or carboxamide compounds	20140221
EP-3107910-A1	New phenylazetidine, carboxylate or carboxamide compounds	20140221
JP-2017509609-A	Novel phenylazetidine carboxylate or carboxamide compounds	20140221

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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:	255
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	254.98949
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	254.98949
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2