2-(Chloromethyl)-5-methylbenzoxazole - CAS 41014-44-2

Catalog:	BB024751
Product Name:	2-(Chloromethyl)-5-methylbenzoxazole
CAS:	41014-44-2
Synonyms:	2-(chloromethyl)-5-methyl-1,3-benzoxazole; 2-(chloromethyl)-5-methyl-1,3-benzoxazole

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(chloromethyl)-5-methyl-1,3-benzoxazole
Description:	2-(Chloromethyl)-5-methylbenzoxazole (CAS# 41014-44-2) is a useful research chemical.
Molecular Weight:	181.62
Molecular Formula:	C9H8ClNO
Canonical SMILES:	CC1=CC2=C(C=C1)OC(=N2)CCl
InChI:	InChI=1S/C9H8ClNO/c1-6-2-3-8-7(4-6)11-9(5-10)12-8/h2-4H,5H2,1H3
InChI Key:	HLMSMIKJAZQYJS-UHFFFAOYSA-N
Boiling Point:	260.2 °C at 760 mmHg
Density:	1.265 g/cm³
MDL:	MFCD07366537
LogP:	2.87500

Publication Number	Title	Priority Date
WO-2021170600-A1	Pyrrolopyridine and imidazopyridine antiviral compounds	20200224
WO-2020116971-A1	Compounds having pde9a inhibitory activity, and pharmaceutical uses thereof	20181206
KR-20200068994-A	Compound for inhibiting PDE9A and medical uses thereof	20181206
EP-3892623-A1	Compounds having pde9a inhibitory activity, and pharmaceutical uses thereof	20181206
US-2014142114-A1	Anthelmintic compounds and compositions and method of using thereof	20121120

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Related Functional Groups

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Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.0294416
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	181.0294416
Rotatable Bond Count:	1
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6