5-Fluoro-2(3H)-benzoxazolone - CAS 13451-79-1

Catalog:	BB007950
Product Name:	5-Fluoro-2(3H)-benzoxazolone
CAS:	13451-79-1
Synonyms:	5-fluoro-3H-1,3-benzoxazol-2-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-fluoro-3H-1,3-benzoxazol-2-one
Description:	5-Fluoro-2(3H)-benzoxazolone (CAS# 13451-79-1) is a useful research chemical.
Molecular Weight:	153.11
Molecular Formula:	C7H4FNO2
Canonical SMILES:	C1=CC2=C(C=C1F)NC(=O)O2
InChI:	InChI=1S/C7H4FNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
InChI Key:	KXMRAGBOYTUYGL-UHFFFAOYSA-N
Density:	1.44 g/cm³
Appearance:	White to tan powder
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD08059539
LogP:	1.26020

Publication Number	Title	Priority Date
US-10226452-B2	Benzoxazolone derivatives as acid ceramidase inhibitors, and their use as medicaments	20140512
US-2017182010-A1	Benzoxazolone derivatives as acid ceramidase inhibitors, and their use as medicaments	20140512
WO-2015173168-A1	Benzoxazolone derivatives as acid ceramidase inhibitors, and their use as medicaments	20140512
AU-2013334663-A1	Benzoxazolinone compounds with selective activity in voltage-gated sodium channels	20121026
CA-2889378-A1	Benzoxazolinone compounds with selective activity in voltage-gated sodium channels	20121026

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Related Functional Groups

Benzoxazole/Benzothiazole

[16263-54-0]
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[1326714-98-0]
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[180716-28-3]
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[2696462-69-6]
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[451-46-7]
Ethyl 4-fluorobenzoate
[45867-11-6]
2-Amino-5-chloro-4-pyrimidinecarboxylic acid

Oxazole/Thiazole

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[1401934-53-9]
2-Amino-4-(3,4-dimethoxyphenyl)-5-phenylthiazole
[3973-08-8]
4-Thiazolecarboxylic acid
[13610-81-6]
(2-Oxo-1,3-benzoxazol-3(2H)-yl)acetaldehyde
[117043-86-4]
4-(Aminomethyl)thiazole Hydrochloride
[937598-16-8]
Ethyl 2-[(4-acetylphenyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

Complexity:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.02260653
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	153.02260653
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3