5,7-Dichloro-1H-indole-2-carboxylic acid - CAS 4792-71-6

Name: 5,7-Dichloro-1H-indole-2-carboxylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB026433
Product Name:	5,7-Dichloro-1H-indole-2-carboxylic acid
CAS:	4792-71-6
Synonyms:	5,7-dichloro-1H-indole-2-carboxylic acid; 5,7-dichloro-1H-indole-2-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5,7-dichloro-1H-indole-2-carboxylic acid
Description:	5,7-Dichloro-1H-indole-2-carboxylic acid (CAS# 4792-71-6) is a useful research chemical.
Molecular Weight:	230.05
Molecular Formula:	C9H5Cl2NO2
Canonical SMILES:	C1=C2C=C(NC2=C(C=C1Cl)Cl)C(=O)O
InChI:	InChI=1S/C9H5Cl2NO2/c10-5-1-4-2-7(9(13)14)12-8(4)6(11)3-5/h1-3,12H,(H,13,14)
InChI Key:	QILAXMNESNFYJG-UHFFFAOYSA-N
Boiling Point:	476.9 °C at 760 mmHg
Density:	1.663 g/cm³
LogP:	3.17290

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
AU-2018323459-A1	Spirocycle compounds and methods of making and using same	20170829
CA-3072923-A1	Spirocycle compounds and methods of making and using same	20170829
CN-111050765-A	Spiro compounds and methods of making and using the same	20170829
KR-20200046061-A	Spirocycle compounds and methods of making and using them	20170829
WO-2019046318-A1	SPIROCYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF	20170829

Complexity:	249
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.9697338
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	228.9697338
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2