4-Bromo-3-methylindole - CAS 475039-81-7

Catalog:	BB026320
Product Name:	4-Bromo-3-methylindole
CAS:	475039-81-7
Synonyms:	4-bromo-3-methyl-1H-indole; 4-bromo-3-methyl-1H-indole

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-3-methyl-1H-indole
Description:	4-Bromo-3-methylindole (CAS# 475039-81-7) is a useful research chemical.
Molecular Weight:	210.07
Molecular Formula:	C9H8BrN
Canonical SMILES:	CC1=CNC2=C1C(=CC=C2)Br
InChI:	InChI=1S/C9H8BrN/c1-6-5-11-8-4-2-3-7(10)9(6)8/h2-5,11H,1H3
InChI Key:	HQYNWUZMWCHKGJ-UHFFFAOYSA-N
Boiling Point:	325.09 °C at 760 mmHg
Density:	1.564 g/cm³
LogP:	3.23880

Publication Number	Title	Priority Date
CA-3064025-A1	5-5 fused rings as c5a inhibitors	20170531
CN-111032658-A	5-5 fused rings as C5a inhibitors	20170531
EP-3630774-A1	5-5 FUSED RINGS AS C5a INHIBITORS	20170531
KR-20200013720-A	5-5 fused ring as C5a inhibitor	20170531
TW-201902897-A	5-5 fused ring as a C5a inhibitor	20170531

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Related Functional Groups

Indoles

[89908-23-6]
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[1375064-43-9]
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[20538-12-9]
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[879-37-8]
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[5448-47-5]
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GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	208.98401
Rotatable Bond Count:	0
Topological Polar Surface Area:	15.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1