Ethyl 2-Chlorooxazole-5-carboxylate - CAS 862599-47-1

Catalog:	BB037875
Product Name:	Ethyl 2-Chlorooxazole-5-carboxylate
CAS:	862599-47-1
Synonyms:	2-chloro-5-oxazolecarboxylic acid ethyl ester; ethyl 2-chloro-1,3-oxazole-5-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2-chloro-1,3-oxazole-5-carboxylate
Description:	Ethyl 2-Chlorooxazole-5-carboxylate (CAS# 862599-47-1) is a useful research chemical.
Molecular Weight:	175.57
Molecular Formula:	C6H6ClNO3
Canonical SMILES:	CCOC(=O)C1=CN=C(O1)Cl
InChI:	InChI=1S/C6H6ClNO3/c1-2-10-5(9)4-3-8-6(7)11-4/h3H,2H2,1H3
InChI Key:	ZFLDTEIDAGWEEI-UHFFFAOYSA-N
Boiling Point:	254.1 °C at 760 mmHg
Density:	1.332 g/cm³
Appearance:	Liquid
MDL:	MFCD09475866
LogP:	1.50470

Publication Number	Title	Priority Date
WO-2021132577-A1	Acylsulfamide compound and pharmaceutical use therefor	20191227
CN-112010858-A	BTK inhibitor, preparation method and pharmaceutical application thereof	20190531
TW-202039528-A	Neuroactive steroids and their methods of use	20181205
US-2020123117-A1	Androgen receptor modulators and methods for their use	20181018
WO-2020081999-A1	Androgen receptor modulators and methods for their use	20181018

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.0036207
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	175.0036207
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9