5-Chloro-7-nitrobenzoxazole - CAS 1356111-15-3

Catalog:	BB008224
Product Name:	5-Chloro-7-nitrobenzoxazole
CAS:	1356111-15-3
Synonyms:	5-chloro-7-nitro-1,3-benzoxazole; 5-chloro-7-nitro-1,3-benzoxazole

Technical Data

Patents

Computed Properties

IUPAC Name:	5-chloro-7-nitro-1,3-benzoxazole
Description:	5-Chloro-7-nitrobenzoxazole (CAS# 1356111-15-3 ) is a useful research chemical.
Molecular Weight:	198.56
Molecular Formula:	C7H3ClN2O3
Canonical SMILES:	C1=C(C=C2C(=C1[N+](=O)[O-])OC=N2)Cl
InChI:	InChI=1S/C7H3ClN2O3/c8-4-1-5-7(13-3-9-5)6(2-4)10(11)12/h1-3H
InChI Key:	KNEAFDRPEPJZOM-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	2.91260

Publication Number	Title	Priority Date
EP-1664039-A1	1,3-benzoxazolyl derivatives as kinase-inhibitors	20030924
US-2006281762-A1	1,3-Benzoxazolyl derivatives as kinase inhibitors	20030924
US-8242128-B2	1,3-benzoxazolyl derivatives as kinase inhibitors	20030924
WO-2005037829-A1	1,3-benzoxazolyl derivatives as kinase-inhibitors	20030924

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Complexity:	220
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	197.9832197
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	197.9832197
Rotatable Bond Count:	0
Topological Polar Surface Area:	71.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2