2-Chloro-7-methylbenzoxazole - CAS 1378633-00-1

Catalog:	BB008657
Product Name:	2-Chloro-7-methylbenzoxazole
CAS:	1378633-00-1
Synonyms:	2-chloro-7-methyl-1,3-benzoxazole; 2-chloro-7-methyl-1,3-benzoxazole

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-7-methyl-1,3-benzoxazole
Description:	2-Chloro-7-methylbenzoxazole (CAS# 1378633-00-1) is a useful research chemical.
Molecular Weight:	167.59
Molecular Formula:	C8H6ClNO
Canonical SMILES:	CC1=C2C(=CC=C1)N=C(O2)Cl
InChI:	InChI=1S/C8H6ClNO/c1-5-3-2-4-6-7(5)11-8(9)10-6/h2-4H,1H3
InChI Key:	YRMVIUOSPZWDLP-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2010070822-A1	Safeners for herbicides, herbicidal compositions with reduced chemical damage and safening method using same	20081215
US-2009240057-A1	3,4-Dihalogenoisothiazole Derivative, and Agricultural or Horticultural Plant Disease-Controlling Agent	20060712
US-8003675-B2	3,4-dihalogenoisothiazole derivative, and agricultural or horticultural plant disease-controlling agent	20060712

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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

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