2-Chloro-4-morpholinobenzoic Acid - CAS 175153-55-6

Catalog:	BB013087
Product Name:	2-Chloro-4-morpholinobenzoic Acid
CAS:	175153-55-6
Synonyms:	2-chloro-4-(4-morpholinyl)benzoic acid; 2-chloro-4-morpholin-4-ylbenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-4-morpholin-4-ylbenzoic acid
Description:	2-Chloro-4-morpholinobenzoic Acid (CAS# 175153-55-6) is a useful research chemical compound.
Molecular Weight:	241.67
Molecular Formula:	C11H12ClNO3
Canonical SMILES:	C1COCCN1C2=CC(=C(C=C2)C(=O)O)Cl
InChI:	InChI=1S/C11H12ClNO3/c12-10-7-8(1-2-9(10)11(14)15)13-3-5-16-6-4-13/h1-2,7H,3-6H2,(H,14,15)
InChI Key:	AJCOZBPUPGTLME-UHFFFAOYSA-N
MDL:	MFCD03425732
LogP:	1.93980

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
CN-111386118-A	Combination 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:	241.0505709
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	241.0505709
Rotatable Bond Count:	2
Topological Polar Surface Area:	49.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2