5-Fluoro-2-morpholinobenzoic Acid - CAS 1096880-75-9

Catalog:	BB002532
Product Name:	5-Fluoro-2-morpholinobenzoic Acid
CAS:	1096880-75-9
Synonyms:	5-fluoro-2-(4-morpholinyl)benzoic acid; 5-fluoro-2-morpholin-4-ylbenzoic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	5-fluoro-2-morpholin-4-ylbenzoic acid
Description:	5-Fluoro-2-morpholinobenzoic Acid (CAS# 1096880-75-9) is a useful research chemical.
Molecular Weight:	225.22
Molecular Formula:	C11H12FNO3
Canonical SMILES:	C1COCCN1C2=C(C=C(C=C2)F)C(=O)O
InChI:	InChI=1S/C11H12FNO3/c12-8-1-2-10(9(7-8)11(14)15)13-3-5-16-6-4-13/h1-2,7H,3-6H2,(H,14,15)
InChI Key:	WNAOSSZZNGQFBY-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD11639774
LogP:	1.42550

Publication Number	Title	Priority Date
AU-2018339068-A1	Combination pharmaceutical agents as RSV inhibitors	20170929
CA-3077309-A1	Combination pharmaceutical agents as rsv inhibitors	20170929
US-2019192535-A1	Combination pharmaceutical agents as rsv inhibitors	20170929
WO-2019067864-A1	PHARMACEUTICAL AGENTS IN COMBINATION AS INHIBITORS OF RSV	20170929
BR-112020006334-A2	combination of pharmaceutical agents as rsv inhibitors	20170929

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Complexity:	256
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.08012141
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	225.08012141
Rotatable Bond Count:	2
Topological Polar Surface Area:	49.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3