2-Chloro-5-methoxybenzoxazole - CAS 49559-34-4

Name: 2-Chloro-5-methoxybenzoxazole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB026729
Product Name:	2-Chloro-5-methoxybenzoxazole
CAS:	49559-34-4
Synonyms:	2-chloro-5-methoxy-1,3-benzoxazole; 2-chloro-5-methoxy-1,3-benzoxazole

Technical Data

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Patents

Computed Properties

IUPAC Name:	2-chloro-5-methoxy-1,3-benzoxazole
Description:	2-Chloro-5-methoxybenzoxazole (CAS# 49559-34-4 ) is a useful research chemical.
Molecular Weight:	183.59
Molecular Formula:	C8H6ClNO2
Canonical SMILES:	COC1=CC2=C(C=C1)OC(=N2)Cl
InChI:	InChI=1S/C8H6ClNO2/c1-11-5-2-3-7-6(4-5)10-8(9)12-7/h2-4H,1H3
InChI Key:	BRENVJPPZRBCPU-UHFFFAOYSA-N
Boiling Point:	251 °C at 760 mmHg
Density:	1.354 g/cm³
LogP:	2.48980

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Related Functional Groups

Benzoxazole/Benzothiazole

[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[20712-11-2]C7H4N2O2S
6-Nitrobenzo[c]isothiazole
[1326714-98-0]C7H4BrNS
4-Bromobenzo[d]isothiazole
[180716-28-3]C7H5NO2
Benzo[d]oxazol-5-ol
[1488698-24-3]C8H7NO2
Benzo[d]oxazol-5-ylmethanol
[1494550-29-6]C8H7NO2
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

Publication Number	Title	Priority Date
WO-2020153434-A1	Pyrazole compound	20190125
TW-202045506-A	Pyrazole compounds	20190125
WO-2020153433-A1	Substituent-including urea compound	20190124
TW-202043239-A	Urea compounds with substituents	20190124
CN-113382767-A	Substituted urea compounds	20190124

Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.0087061
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	183.0087061
Rotatable Bond Count:	1
Topological Polar Surface Area:	35.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1