4-(Chloromethyl)-2-(4-nitrophenyl)-1,3-oxazole (>90%) - CAS 39867-96-4

Catalog:	BB069240
Product Name:	4-(Chloromethyl)-2-(4-nitrophenyl)-1,3-oxazole (>90%)
CAS:	39867-96-4
Synonyms:	4-(Chloromethyl)-2-(4-nitrophenyl)oxazole; 4-(Chloromethyl)-2-(p-nitrophenyl)oxazole

Technical Data

IUPAC Name:	4-(chloromethyl)-2-(4-nitrophenyl)-1,3-oxazole
Description:	4-(Chloromethyl)-2-(4-nitrophenyl)-1,3-oxazole (>90%) can be used as PET radiotracers.
Molecular Weight:	238.62
Molecular Formula:	C10H7N2O3Cl
Canonical SMILES:	C1=CC(=CC=C1C2=NC(=CO2)CCl)[N+](=O)[O-]
InChI:	InChI=1S/C10H7ClN2O3/c11-5-8-6-16-10(12-8)7-1-3-9(4-2-7)13(14)15/h1-4,6H,5H2
InChI Key:	JDNZYRXCPGOUJI-UHFFFAOYSA-N
Melting Point:	132 - 135 °C
Solubility:	Chloroform (Slightly), DMSO (Slightly)
Appearance:	Pale Beige to Light Beige Solid
Storage:	-20°C Freezer, Under inert atmosphere
References:	Luurtsema, G., et.al. PCT Int. Appl., 39, (2015).

Complexity:	251
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	238.0145198
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	238.0145198
Rotatable Bond Count:	2
Topological Polar Surface Area:	71.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3