6-Amino-8-fluoro-2H-1,4-benzoxazin-3(4H)-one Hydrochloride - CAS 1211496-36-4

Catalog:	BB054993
Product Name:	6-Amino-8-fluoro-2H-1,4-benzoxazin-3(4H)-one Hydrochloride
CAS:	1211496-36-4
Synonyms:	6-amino-8-fluoro-2h-1,4-benzoxazin-3(4h)-one hydrochloride; 6-amino-8-fluoro-4H-1,4-benzoxazin-3-one; hydrochloride; 6-amino-8-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-one hydrochloride; 6-Amino-8-fluoro-2H-benzo[b][1,4]oxazin-3(4H)-one hydrochloride; 6-Amino-8-fluoro-2H-benzo[b][1,4]oxazin-3(4H)-onehydrochloride

Technical Data

IUPAC Name:	6-amino-8-fluoro-4H-1,4-benzoxazin-3-onehydrochloride
Molecular Weight:	182.15 + 36.46
Molecular Formula:	C8H7N2O2F·HCl
Canonical SMILES:	C1C(=O)NC2=C(O1)C(=CC(=C2)N)F.Cl
InChI:	InChI=1S/C8H7FN2O2.ClH/c9-5-1-4(10)2-6-8(5)13-3-7(12)11-6/h1-2H,3,10H2,(H,11,12)1H
InChI Key:	DKIVXKVICHQJGR-UHFFFAOYSA-N

Complexity:	224
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.0258334
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	218.0258334
Rotatable Bond Count:	0
Topological Polar Surface Area:	64.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0