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4-Fluorobicyclo[2.2.2]octane-1-carboxylic Acid

4-Fluorobicyclo[2.2.2]octane-1-carboxylic Acid - CAS 78385-84-9

Catalog:	BB036160
Product Name:	4-Fluorobicyclo[2.2.2]octane-1-carboxylic Acid
CAS:	78385-84-9
Synonyms:	4-fluoro-1-bicyclo[2.2.2]octanecarboxylic acid; 4-fluorobicyclo[2.2.2]octane-1-carboxylic acid

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Computed Properties

IUPAC Name:	4-fluorobicyclo[2.2.2]octane-1-carboxylic acid
Description:	4-Fluorobicyclo[2.2.2]octane-1-carboxylic Acid (CAS# 78385-84-9 ) is a useful research chemical.
Molecular Weight:	172.20
Molecular Formula:	C9H13FO2
Canonical SMILES:	C1CC2(CCC1(CC2)C(=O)O)F
InChI:	InChI=1S/C9H13FO2/c10-9-4-1-8(2-5-9,3-6-9)7(11)12/h1-6H2,(H,11,12)
InChI Key:	CCOTVPAWNHYJSJ-UHFFFAOYSA-N
LogP:	2.13350

Publication Number	Title	Priority Date
JP-2018076368-A	Combination of hepatitis C virus inhibitors	20180111
EP-3068785-A1	Substituted 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine derivatives as casein kinase 1 d/e inhibitors	20131114
EP-3068785-B1	Substituted 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine derivatives as casein kinase 1 d/e inhibitors	20131114
JP-2016537369-A	Substituted 4,5,6,7-tetrahydropyrazolo [1,5-A] pyrazine derivatives as casein kinase 1D / E inhibitors	20131114
JP-6494624-B2	Substituted 4,5,6,7-tetrahydropyrazolo [1,5-A] pyrazine derivatives as casein kinase 1D / E inhibitors	20131114

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[832741-29-4]
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[91552-11-3]
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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:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.08995782
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	172.08995782
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5