3-Chloro-5-ethoxy-4-hydroxybenzaldehyde - CAS 70842-33-0

Catalog:	BB034252
Product Name:	3-Chloro-5-ethoxy-4-hydroxybenzaldehyde
CAS:	70842-33-0
Synonyms:	3-chloro-5-ethoxy-4-hydroxybenzaldehyde; 3-chloro-5-ethoxy-4-hydroxybenzaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	3-chloro-5-ethoxy-4-hydroxybenzaldehyde
Description:	3-Chloro-5-ethoxy-4-hydroxybenzaldehyde (CAS# 70842-33-0) is a useful research chemical.
Molecular Weight:	200.62
Molecular Formula:	C9H9ClO3
Canonical SMILES:	CCOC1=C(C(=CC(=C1)C=O)Cl)O
InChI:	InChI=1S/C9H9ClO3/c1-2-13-8-4-6(5-11)3-7(10)9(8)12/h3-5,12H,2H2,1H3
InChI Key:	HXWPHQVLVFUYLR-UHFFFAOYSA-N
Boiling Point:	301.8 °C at 760 mmHg
Density:	1.319 g/cm³
LogP:	2.25680

Publication Number	Title	Priority Date
EP-2970331-A1	Spiro azetidine isoxazole derivatives and their use as sstr5 antagonists	20130314
EP-2970331-B1	Spiro azetidine isoxazole derivatives and their use as sstr5 antagonists	20130314
ES-2629729-T3	Spiro azetidine asoxazol derivatives and their use as sstr5 antagonists	20130314
JP-2016510719-A	Spiroazetidine isoxazole derivatives and their use as SSTR5 antagonists	20130314
JP-6247697-B2	Spiroazetidine isoxazole derivatives and their use as SSTR5 antagonists	20130314

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Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.0240218
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	200.0240218
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2