2-Chloro-5-methylbenzoxazole - CAS 3770-60-3

Catalog:	BB023396
Product Name:	2-Chloro-5-methylbenzoxazole
CAS:	3770-60-3
Synonyms:	2-chloro-5-methyl-1,3-benzoxazole; 2-chloro-5-methyl-1,3-benzoxazole

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-5-methyl-1,3-benzoxazole
Description:	2-Chloro-5-methylbenzoxazole (CAS# 3770-60-3) is a useful research chemical compound.
Molecular Weight:	167.59
Molecular Formula:	C8H6ClNO
Canonical SMILES:	CC1=CC2=C(C=C1)OC(=N2)Cl
InChI:	InChI=1S/C8H6ClNO/c1-5-2-3-7-6(4-5)10-8(9)11-7/h2-4H,1H3
InChI Key:	AVJUFHRBOJNDFG-UHFFFAOYSA-N
Boiling Point:	224.935 °C at 760 mmHg
Density:	1.311 g/cm³
LogP:	2.78960

Publication Number	Title	Priority Date
WO-2020153433-A1	Substituent-including urea compound	20190124
CN-113382767-A	Substituted urea compounds	20190124
US-2019135778-A1	Therapeutically active bicyclic-sulphonamides and pharmaceutical compositions	20171103
US-10865194-B2	Therapeutically active bicyclic-sulphonamides and pharmaceutical compositions	20171103
TW-201919640-A	Combination agent as an RSV inhibitor	20170929

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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:	167.0137915
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	167.0137915
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1