1-(3-Fluorophenyl)cyclopropanecarbonitrile - CAS 124276-55-7

Catalog:	BB005853
Product Name:	1-(3-Fluorophenyl)cyclopropanecarbonitrile
CAS:	124276-55-7
Synonyms:	1-(3-fluorophenyl)-1-cyclopropanecarbonitrile; 1-(3-fluorophenyl)cyclopropane-1-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	1-(3-fluorophenyl)cyclopropane-1-carbonitrile
Description:	1-(3-Fluorophenyl)cyclopropanecarbonitrile (CAS# 124276-55-7 ) is a useful research chemical.
Molecular Weight:	161.18
Molecular Formula:	C10H8FN
Canonical SMILES:	C1CC1(C#N)C2=CC(=CC=C2)F
InChI:	InChI=1S/C10H8FN/c11-9-3-1-2-8(6-9)10(7-12)4-5-10/h1-3,6H,4-5H2
InChI Key:	OFFLWDDLGSEGTI-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	2.38088

Publication Number	Title	Priority Date
AU-2007342364-A1	3-substituted-[1,2,3]benzotriazinone compounds for enhancing glutamatergic synaptic responses	20070103
CA-2674321-A1	3-substituted-[1,2,3]benzotriazinone compounds for enhancing glutamatergic synaptic responses	20070103
EP-2114158-A1	3-substituted-[1,2,3]benzotriazinone compounds for enhancing glutamatergic synaptic responses	20070103
EP-2114158-B1	3-substituted-[1,2,3]benzotriazinone compounds for enhancing glutamatergic synaptic responses	20070103
JP-2010514837-A	3-Substituted- [1,2,3] benzotriazinone compounds for enhancing glutamatergic synaptic responses	20070103

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Related Functional Groups

Nitrogen Compounds

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[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[618-40-6]
1-Methyl-1-phenylhydrazine
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[2241982-86-3]
3-(Phenyl-2-D)propanenitrile-2,2-D2
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine

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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+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:	223
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.064077422
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	161.064077422
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2