7,8-Difluoro-3,4-dihydro-2H-1,4-benzoxazine - CAS 82419-29-2

Catalog:	BB036818
Product Name:	7,8-Difluoro-3,4-dihydro-2H-1,4-benzoxazine
CAS:	82419-29-2
Synonyms:	7,8-difluoro-3,4-dihydro-2H-1,4-benzoxazine; 7,8-difluoro-3,4-dihydro-2H-1,4-benzoxazine

Technical Data

Patents

Computed Properties

IUPAC Name:	7,8-difluoro-3,4-dihydro-2H-1,4-benzoxazine
Description:	7,8-Difluoro-3,4-dihydro-2H-1,4-benzoxazine (CAS# 82419-29-2) is a useful research chemical.
Molecular Weight:	171.14
Molecular Formula:	C8H7F2NO
Canonical SMILES:	C1COC2=C(N1)C=CC(=C2F)F
InChI:	InChI=1S/C8H7F2NO/c9-5-1-2-6-8(7(5)10)12-4-3-11-6/h1-2,11H,3-4H2
InChI Key:	PZPVTXOFDWKYDD-UHFFFAOYSA-N
LogP:	1.90710

Publication Number	Title	Priority Date
WO-2010046388-A1	Substituted (aza) -1-methyl-1h-quinolin-2-ones as antibacterials	20081023
US-2011275661-A1	Tricyclic nitrogen compounds used as antibacterials	20081017
US-2011009394-A1	Tricyclic nitrogen compounds and their use as antibacterial agents	20080109
EP-2137196-A1	Tricyclic nitrogen containing compounds as antibacterial agents	20070420
EP-2137196-B1	Tricyclic nitrogen containing compounds as antibacterial agents	20070420

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Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.04957017
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	171.04957017
Rotatable Bond Count:	0
Topological Polar Surface Area:	21.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9