2-(3-Bromo-4-fluorophenyl)acetonitrile - CAS 501420-63-9

Catalog:	BB026932
Product Name:	2-(3-Bromo-4-fluorophenyl)acetonitrile
CAS:	501420-63-9
Synonyms:	2-(3-bromo-4-fluorophenyl)acetonitrile; 2-(3-bromo-4-fluorophenyl)acetonitrile

Technical Data

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Computed Properties

IUPAC Name:	2-(3-bromo-4-fluorophenyl)acetonitrile
Description:	2-(3-Bromo-4-fluorophenyl)acetonitrile (CAS# 501420-63-9) is a useful research chemical.
Molecular Weight:	214.03
Molecular Formula:	C8H5BrFN
Canonical SMILES:	C1=CC(=C(C=C1CC#N)Br)F
InChI:	InChI=1S/C8H5BrFN/c9-7-5-6(3-4-11)1-2-8(7)10/h1-2,5H,3H2
InChI Key:	ORKCKZRBHXMWBO-UHFFFAOYSA-N
MDL:	MFCD08458154
LogP:	2.65428

Publication Number	Title	Priority Date
AU-2016338118-A1	Oxadiazole amine derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same	20151012
AU-2016338118-B2	Oxadiazole amine derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same	20151012
CA-3001666-A1	Oxadiazole amine derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same	20151012
EP-3362445-A1	Oxadiazole amine derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same	20151012
JP-2018530571-A	Oxadiazoleamine derivative compound as histone deacetylase 6 inhibitor and pharmaceutical composition containing the same	20151012

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[102388-00-1]
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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:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.95894
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	212.95894
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4