2-Chloro-4-morpholinobenzaldehyde - CAS 886501-36-6

Catalog:	BB039115
Product Name:	2-Chloro-4-morpholinobenzaldehyde
CAS:	886501-36-6
Synonyms:	2-chloro-4-(4-morpholinyl)benzaldehyde; 2-chloro-4-morpholin-4-ylbenzaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	2-chloro-4-morpholin-4-ylbenzaldehyde
Description:	2-Chloro-4-morpholinobenzaldehyde (CAS# 886501-36-6) is a useful research chemical.
Molecular Weight:	225.67
Molecular Formula:	C11H12ClNO2
Canonical SMILES:	C1COCCN1C2=CC(=C(C=C2)C=O)Cl
InChI:	InChI=1S/C11H12ClNO2/c12-11-7-10(2-1-9(11)8-14)13-3-5-15-6-4-13/h1-2,7-8H,3-6H2
InChI Key:	ANDFLRNDOCVCFM-UHFFFAOYSA-N
LogP:	2.05410

Publication Number	Title	Priority Date
US-10323038-B2	Pyrazole compounds and methods of making and using same	20151120
US-2018327416-A1	Pyrazole compounds and methods of making and using same	20151120
WO-2017087863-A1	Pyrazole compounds and methods of making and using same	20151120
CA-2917050-A1	Pyrrolo-pyrrole carbamate and related organic compounds, pharmaceutical compositions, and medical uses thereof	20130703
EP-3016653-A1	Pyrrolo-pyrrole carbamate and related organic compounds, pharmaceutical compositions, and medical uses thereof	20130703

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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