2-Bromo-1-methyl-1H-indole - CAS 89246-30-0

Catalog:	BB039389
Product Name:	2-Bromo-1-methyl-1H-indole
CAS:	89246-30-0
Synonyms:	2-bromo-1-methylindole; 2-bromo-1-methylindole

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-1-methylindole
Description:	2-Bromo-1-methyl-1H-indole (CAS# 89246-30-0 ) is a useful research chemical.
Molecular Weight:	210.07
Molecular Formula:	C9H8BrN
Canonical SMILES:	CN1C2=CC=CC=C2C=C1Br
InChI:	InChI=1S/C9H8BrN/c1-11-8-5-3-2-4-7(8)6-9(11)10/h2-6H,1H3
InChI Key:	LWZBTVYFUVWJLB-UHFFFAOYSA-N
LogP:	2.94080

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Related Functional Groups

Indoles

[1884330-89-5]
1-Methyl-1H-indole-5-D
[1375064-65-5]
Ethyl 3-Bromo-5-chloroindole-1-carboxylate
[1375064-48-4]
Ethyl 3-Bromo-5-fluoroindole-1-carboxylate
[1375064-59-7]
Ethyl 3-Bromoindole-1-carboxylate
[61149-52-8]
Ethyl 4-methyl-7-nitro-1H-indole-2-carboxylate
[2124-55-2]
Indole-4-carboxylic acid

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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

Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.98401
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	208.98401
Rotatable Bond Count:	0
Topological Polar Surface Area:	4.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1