2-(Chloromethyl)-4-fluorobenzoxazole - CAS 139549-22-7

Catalog:	BB008956
Product Name:	2-(Chloromethyl)-4-fluorobenzoxazole
CAS:	139549-22-7
Synonyms:	2-(chloromethyl)-4-fluoro-1,3-benzoxazole; 2-(chloromethyl)-4-fluoro-1,3-benzoxazole

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(chloromethyl)-4-fluoro-1,3-benzoxazole
Description:	2-(Chloromethyl)-4-fluorobenzoxazole (CAS# 139549-22-7 ) is a useful research chemical.
Molecular Weight:	185.58
Molecular Formula:	C8H5ClFNO
Canonical SMILES:	C1=CC2=C(C(=C1)F)N=C(O2)CCl
InChI:	InChI=1S/C8H5ClFNO/c9-4-7-11-8-5(10)2-1-3-6(8)12-7/h1-3H,4H2
InChI Key:	AEOPPVPQYXKXJD-UHFFFAOYSA-N
LogP:	2.70570

Publication Number	Title	Priority Date
CA-2053512-A1	Hydroxylated inhibitors of hiv reverse transcriptase	19901018
EP-0481802-A1	Hydroxylated inhibitors of HIV reverse transcriptase	19901018
IE-913647-A1	Hydroxylated inhibitors of hiv reverse transcriptase	19901018
JP-H05170740-A	Hydroxylation inhibitor of HIV reverse transcriptase	19901018
PT-99260-A	METHOD FOR PREPARING HYDROXYLATE INHIBITORS OF REVERSE HIV TRANSCRIPTASE, IN PARTICULAR NEW HYDROXY-PYRIDINES	19901018

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Complexity:	169
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.0043696
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	185.0043696
Rotatable Bond Count:	1
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3