6-Bromoindole-3-carboxaldehyde - CAS 17826-04-9

Name: 6-Bromoindole-3-carboxaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB013431
Product Name:	6-Bromoindole-3-carboxaldehyde
CAS:	17826-04-9
Synonyms:	6-bromo-1H-indole-3-carbaldehyde

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Computed Properties

IUPAC Name:	6-bromo-1H-indole-3-carbaldehyde
Description:	6-Bromoindole-3-carboxaldehyde (CAS# 17826-04-9) is a useful research chemical.
Molecular Weight:	224.05
Molecular Formula:	C9H6BrNO
Canonical SMILES:	C1=CC2=C(C=C1Br)NC=C2C=O
InChI:	InChI=1S/C9H6BrNO/c10-7-1-2-8-6(5-12)4-11-9(8)3-7/h1-5,11H
InChI Key:	WCCLQCBKBPTODV-UHFFFAOYSA-N
Boiling Point:	395.6 °C at 760 mmHg
Melting Point:	202-203 °C
Purity:	> 97.0 % (GC)
Density:	1.727 g/cm³
MDL:	MFCD00792689
LogP:	2.74290

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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
[17746-05-3]C11H21ClO
Undecanoyl chloride
[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
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021158481-A1	Substituted 1,1'-biphenyl compounds and methods using same	20200203
WO-2021127166-A1	Inhibitors of enl/af9 yeats	20191217
WO-2020230136-A1	Acss2 inhibitors and methods of use thereof	20190514
US-2020197391-A1	Compounds that participate in cooperative binding and uses thereof	20181221
WO-2020132597-A1	Compounds that participate in cooperative binding and uses thereof	20181221

PMID	Publication Date	Title	Journal
21673896	20110101	Bioactive indole derivatives from the South Pacific marine sponges Rhopaloeides odorabile and Hyrtios sp	Marine drugs
19597579	20090519	Aplysinopsins--marine indole alkaloids: chemistry, bioactivity and ecological significance	Marine drugs
19140074	20090101	Iotrochotamides I and II: new ceramides from the Indonesian sponge Iotrochota purpurea	Natural product research
11975511	20020401	1,2-bis(1H-indol-3-yl)ethane-1,2-dione, an indole alkaloid from the marine sponge Smenospongia sp	Journal of natural products

Complexity:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.96328
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	222.96328
Rotatable Bond Count:	1
Topological Polar Surface Area:	32.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4