7-Chloroindole-3-carbaldehyde - CAS 1008-07-7

Catalog:	BB000342
Product Name:	7-Chloroindole-3-carbaldehyde
CAS:	1008-07-7
Synonyms:	7-chloro-1H-indole-3-carboxaldehyde; 7-chloro-1H-indole-3-carbaldehyde

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	7-chloro-1H-indole-3-carbaldehyde
Description:	7-Chloroindole-3-carbaldehyde (CAS# 1008-07-7) is a useful research chemical.
Molecular Weight:	179.60
Molecular Formula:	C9H6ClNO
Canonical SMILES:	C1=CC2=C(C(=C1)Cl)NC=C2C=O
InChI:	InChI=1S/C9H6ClNO/c10-8-3-1-2-7-6(5-12)4-11-9(7)8/h1-5,11H
InChI Key:	NHJNOJSRXQVQRT-UHFFFAOYSA-N
Boiling Point:	373.4 °C at 760 mmHg
Density:	1.431 g/cm³
Appearance:	Powder
MDL:	MFCD06657153
LogP:	2.63380

Publication Number	Title	Priority Date
EP-3875086-A1	Dual-inhibitors of cellular necroptosis and ferroptosis for use in the treatment of organ transplant patients	20200304
CN-111032654-A	Bicyclic heteroaromatic urea or carbamate compounds for use in therapy	20170614
EP-3638668-A1	Bicyclic heteroaromatic urea or carbamate compounds for use in therapy	20170614
WO-2018229197-A1	Bicyclic heteroaromatic urea or carbamate compounds for use in therapy	20170614
JP-2020523362-A	Bicyclic heteroaromatic urea or carbamate compounds for therapeutic use	20170614

PMID	Publication Date	Title	Journal
16408008	20050701	Chemical inhibitor of nonapoptotic cell death with therapeutic potential for ischemic brain injury	Nature chemical biology

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Complexity:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	179.0137915
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	179.0137915
Rotatable Bond Count:	1
Topological Polar Surface Area:	32.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1