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6-(3-Chloropropanoyl)benzo[d]oxazol-2(3H)-one

6-(3-Chloropropanoyl)benzo[d]oxazol-2(3H)-one - CAS 132383-36-9

Name: 6-(3-Chloropropanoyl)benzo[d]oxazol-2(3H)-one
Brand: BOC Sciences
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Catalog:	BB007580
Product Name:	6-(3-Chloropropanoyl)benzo[d]oxazol-2(3H)-one
CAS:	132383-36-9
Synonyms:	6-(3-chloro-1-oxopropyl)-3H-1,3-benzoxazol-2-one; 6-(3-chloropropanoyl)-3H-1,3-benzoxazol-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	6-(3-chloropropanoyl)-3H-1,3-benzoxazol-2-one
Description:	6-(3-Chloropropanoyl)benzo[d]oxazol-2(3H)-one (CAS# 132383-36-9 ) is a useful research chemical.
Molecular Weight:	225.63
Molecular Formula:	C10H8ClNO3
Canonical SMILES:	C1=CC2=C(C=C1C(=O)CCCl)OC(=O)N2
InChI:	InChI=1S/C10H8ClNO3/c11-4-3-8(13)6-1-2-7-9(5-6)15-10(14)12-7/h1-2,5H,3-4H2,(H,12,14)
InChI Key:	MXIZTDFUEUBMPE-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	2.34500

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[927676-51-5]C10H6BrNO3
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

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Publication Number	Title	Priority Date
AU-2018270685-A1	Novel compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same	20170517
AU-2020203594-A1	Novel compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same	20170517
EP-3442973-A1	Novel compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same	20170517
JP-2019518799-A	Novel compounds as autotaxin inhibitors and pharmaceutical compositions containing them	20170517
KR-101798840-B1	Novel Compounds as Autotaxin Inhibitors and Pharmaceutical Compositions Comprising the Same	20170517

Complexity:	282
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.0192708
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	225.0192708
Rotatable Bond Count:	3
Topological Polar Surface Area:	55.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4