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Methyl 4-Bromobicyclo[2.2.2]octane-1-carboxylate

Methyl 4-Bromobicyclo[2.2.2]octane-1-carboxylate - CAS 23062-51-3

Catalog:	BB017901
Product Name:	Methyl 4-Bromobicyclo[2.2.2]octane-1-carboxylate
CAS:	23062-51-3
Synonyms:	4-bromo-1-bicyclo[2.2.2]octanecarboxylic acid methyl ester; methyl 4-bromobicyclo[2.2.2]octane-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 4-bromobicyclo[2.2.2]octane-1-carboxylate
Description:	Methyl 4-Bromobicyclo[2.2.2]octane-1-carboxylate (CAS# 23062-51-3) is a useful research chemical compound.
Molecular Weight:	247.13
Molecular Formula:	C10H15BrO2
Canonical SMILES:	COC(=O)C12CCC(CC1)(CC2)Br
InChI:	InChI=1S/C10H15BrO2/c1-13-8(12)9-2-5-10(11,6-3-9)7-4-9/h2-7H2,1H3
InChI Key:	QPKJFWIGJBWLTB-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2020168143-A1	Substituted bicyclic compounds as farnesoid x receptor modulators	20190215
WO-2020168149-A1	Substituted amide compounds useful as farnesoid x receptor modulators	20190215
WO-2020168152-A2	Substituted amide compounds useful as farnesoid x receptor modulators	20190215
US-2021261535-A1	Substituted bicyclic compounds as farnesoid x receptor modulators	20190215
WO-2020117799-A1	Carborane compounds, carborane analogs, and methods of use thereof	20181203

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Related Functional Groups

Carbonyl Compounds

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[87-88-7]
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[91552-11-3]
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[957292-12-5]
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[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	213
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	246.02554
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	246.02554
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2