Methyl 6-Chloroindole-3-carboxylate - CAS 921194-97-0

Catalog:	BB040434
Product Name:	Methyl 6-Chloroindole-3-carboxylate
CAS:	921194-97-0
Synonyms:	6-chloro-1H-indole-3-carboxylic acid methyl ester; methyl 6-chloro-1H-indole-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 6-chloro-1H-indole-3-carboxylate
Description:	Methyl 6-Chloroindole-3-carboxylate (CAS# 921194-97-0) is a useful research chemical.
Molecular Weight:	209.63
Molecular Formula:	C10H8ClNO2
Canonical SMILES:	COC(=O)C1=CNC2=C1C=CC(=C2)Cl
InChI:	InChI=1S/C10H8ClNO2/c1-14-10(13)8-5-12-9-4-6(11)2-3-7(8)9/h2-5,12H,1H3
InChI Key:	ZUPVYZOPRHZKNJ-UHFFFAOYSA-N
Appearance:	White to off white crystalline powder
LogP:	2.60790

Publication Number	Title	Priority Date
AU-2018218965-A1	Novel heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same	20170207
AU-2018218965-B2	Novel heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same	20170207
CA-3049643-A1	Novel heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same	20170207
EP-3580208-A1	Novel heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same	20170207
JP-2020506197-A	Novel heterocyclic compound, production method thereof and pharmaceutical composition containing the same	20170207

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Complexity:	234
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.0243562
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	209.0243562
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2