2-Chloro-6-fluorobenzoxazole - CAS 153403-53-3

Catalog:	BB010892
Product Name:	2-Chloro-6-fluorobenzoxazole
CAS:	153403-53-3
Synonyms:	2-chloro-6-fluoro-1,3-benzoxazole; 2-chloro-6-fluoro-1,3-benzoxazole

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-6-fluoro-1,3-benzoxazole
Description:	2-Chloro-6-fluorobenzoxazole (CAS# 153403-53-3) is a useful research chemical.
Molecular Weight:	171.56
Molecular Formula:	C7H3ClFNO
Canonical SMILES:	C1=CC2=C(C=C1F)OC(=N2)Cl
InChI:	InChI=1S/C7H3ClFNO/c8-7-10-5-2-1-4(9)3-6(5)11-7/h1-3H
InChI Key:	SABSNTHFVVOJMX-UHFFFAOYSA-N
LogP:	2.62030

Publication Number	Title	Priority Date
CN-111004226-A	Organic electroluminescent material, intermediate thereof, electronic device, and electronic apparatus	20191220
CN-111004226-B	Organic electroluminescent material, intermediate thereof, electronic device, and electronic apparatus	20191220
WO-2019242599-A1	Tetrahydro isoquinoline derivative, preparation method therefor and use thereof	20180619
CN-112313222-A	Tetrahydroisoquinoline derivatives, preparation method and application thereof	20180619
US-2021277021-A1	Tetrahydroisoquinoline derivative, preparation method therefor and use thereof	20180619

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Related Functional Groups

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Benzo[d]oxazol-5-ylmethanol
[1494550-29-6]
Benzo[d]oxazol-6-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:	157
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.9887196
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	170.9887196
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2