2-Amino-7-bromobenzoxazole - CAS 1211527-07-9

Catalog:	BB005063
Product Name:	2-Amino-7-bromobenzoxazole
CAS:	1211527-07-9
Synonyms:	7-bromo-1,3-benzoxazol-2-amine; 7-bromo-1,3-benzoxazol-2-amine

Technical Data

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Computed Properties

IUPAC Name:	7-bromo-1,3-benzoxazol-2-amine
Description:	2-Amino-7-bromobenzoxazole (CAS# 1211527-07-9 ) is a useful research chemical.
Molecular Weight:	213.03
Molecular Formula:	C7H5BrN2O
Canonical SMILES:	C1=CC2=C(C(=C1)Br)OC(=N2)N
InChI:	InChI=1S/C7H5BrN2O/c8-4-2-1-3-5-6(4)11-7(9)10-5/h1-3H,(H2,9,10)
InChI Key:	QVSLAPQMRBWVBL-UHFFFAOYSA-N
LogP:	2.10260

Publication Number	Title	Priority Date
CN-113429441-A	Metal complex, organic electroluminescent material, light-emitting element, and electroluminescent device	20210727
US-10227331-B2	Metallo-Î²-lactamase inhibitors	20150626
US-2018179190-A1	Metallo-beta-lactamase inhibitors	20150626
WO-2016206101-A1	Metallo-beta-lactamase inhibitors	20150626

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Related Functional Groups

Benzoxazole/Benzothiazole

[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[313402-37-8]
5-(1,3-Benzothiazol-2-yl)-2-methylaniline
[1326714-98-0]
4-Bromobenzo[d]isothiazole
[101253-50-3]
5-Chloro-2-methylbenzo[d]thiazol-6-amine
[180716-28-3]
Benzo[d]oxazol-5-ol
[1488698-24-3]
Benzo[d]oxazol-5-ylmethanol

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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:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	211.95853
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	211.95853
Rotatable Bond Count:	0
Topological Polar Surface Area:	52 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1