5-Chloro-4-fluoro-1H-indole - CAS 376646-56-9

Catalog:	BB023382
Product Name:	5-Chloro-4-fluoro-1H-indole
CAS:	376646-56-9
Synonyms:	5-chloro-4-fluoro-1H-indole; 5-chloro-4-fluoro-1H-indole

Technical Data

Patents

Computed Properties

IUPAC Name:	5-chloro-4-fluoro-1H-indole
Description:	5-Chloro-4-fluoro-1H-indole (CAS# 376646-56-9 ) is a useful research chemical.
Molecular Weight:	169.58
Molecular Formula:	C8H5ClFN
Canonical SMILES:	C1=CC(=C(C2=C1NC=C2)F)Cl
InChI:	InChI=1S/C8H5ClFN/c9-6-1-2-7-5(8(6)10)3-4-11-7/h1-4,11H
InChI Key:	PUXLENMUVGGZNV-UHFFFAOYSA-N
Boiling Point:	299.8 °C at 760 mmHg
Density:	1.436 g/cm³
LogP:	2.96040

Publication Number	Title	Priority Date
CN-103214414-B	The diamine derivative of opticity and manufacture method thereof	20050916
EP-1925611-A1	Optically active diamine derivative and process for producing the same	20050916
US-2009105491-A1	Optically active diamine derivative and process for producing the same	20050916
CN-101163700-A	Triamine derivative	20050331
EP-1864982-A1	Triamine derivative	20050331

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[2642-37-7]
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[20776-45-8]
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[171780-79-3]
5-Methoxy-7-methyl-4-azaindole
[1375064-59-7]
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[32996-16-0]
Ethyl indole-5-carboxylate

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Complexity:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	169.009455
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	169.009455
Rotatable Bond Count:	0
Topological Polar Surface Area:	15.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8