3-Chloro-4-morpholinobenzaldehyde - CAS 886500-23-8

Catalog:	BB039110
Product Name:	3-Chloro-4-morpholinobenzaldehyde
CAS:	886500-23-8
Synonyms:	3-chloro-4-(4-morpholinyl)benzaldehyde; 3-chloro-4-morpholin-4-ylbenzaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	3-chloro-4-morpholin-4-ylbenzaldehyde
Description:	3-Chloro-4-morpholinobenzaldehyde (CAS# 886500-23-8) is a useful research chemical.
Molecular Weight:	225.67
Molecular Formula:	C11H12ClNO2
Canonical SMILES:	C1COCCN1C2=C(C=C(C=C2)C=O)Cl
InChI:	InChI=1S/C11H12ClNO2/c12-10-7-9(8-14)1-2-11(10)13-3-5-15-6-4-13/h1-2,7-8H,3-6H2
InChI Key:	PUYGMNZNDICVPO-UHFFFAOYSA-N
LogP:	2.05410

Publication Number	Title	Priority Date
EP-3455226-A1	Spirocycle compounds and methods of making and using same	20160512
US-10030020-B2	Spirocycle compounds and methods of making and using same	20160512
US-2017327500-A1	Spirocycle compounds and methods of making and using same	20160512
US-2020022977-A1	Spirocycle compounds and methods of making and using same	20160512
WO-2017197192-A1	Spirocycle compounds and methods of making and using same	20160512

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Complexity:	219
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.0556563
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	225.0556563
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8