7-Bromoindole-3-carboxaldehyde - CAS 115666-21-2

Catalog:	BB003605
Product Name:	7-Bromoindole-3-carboxaldehyde
CAS:	115666-21-2
Synonyms:	7-bromo-1H-indole-3-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	7-bromo-1H-indole-3-carbaldehyde
Description:	7-Bromoindole-3-carboxaldehyde (CAS# 115666-21-2) is a useful research chemical.
Molecular Weight:	224.05
Molecular Formula:	C9H6BrNO
Canonical SMILES:	C1=CC2=C(C(=C1)Br)NC=C2C=O
InChI:	InChI=1S/C9H6BrNO/c10-8-3-1-2-7-6(5-12)4-11-9(7)8/h1-5,11H
InChI Key:	MGPMWCBAOQWENZ-UHFFFAOYSA-N
Appearance:	Solid
Storage:	Inert atmosphere, 2-8 °C
LogP:	2.74290

Publication Number	Title	Priority Date
CN-108329249-A	A kind of method of synthesis of indole -3- benzaldehyde compounds	20180209
CN-108329249-B	Method for synthesizing indole-3-formaldehyde compound	20180209
US-2016324992-A1	Identification and treatment of vulnerable plaques	20150506
AU-2013381790-A1	Use of indole compounds for fat reduction and skin and soft tissue tightening	20130313
US-10258605-B2	Use of indole compounds for fat reduction and skin and soft tissue tightening	20130313

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501
Signal Word:	Warning

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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2