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3-Fluoro-5-nitrobenzyl Chloride

3-Fluoro-5-nitrobenzyl Chloride - CAS 1214344-25-8

Catalog:	BB005149
Product Name:	3-Fluoro-5-nitrobenzyl Chloride
CAS:	1214344-25-8
Synonyms:	1-(chloromethyl)-3-fluoro-5-nitrobenzene; 1-(chloromethyl)-3-fluoro-5-nitrobenzene

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(chloromethyl)-3-fluoro-5-nitrobenzene
Description:	3-Fluoro-5-nitrobenzyl Chloride (CAS# 1214344-25-8) is a useful research chemical.
Molecular Weight:	189.57
Molecular Formula:	C7H5ClFNO2
Canonical SMILES:	C1=C(C=C(C=C1[N+](=O)[O-])F)CCl
InChI:	InChI=1S/C7H5ClFNO2/c8-4-5-1-6(9)3-7(2-5)10(11)12/h1-3H,4H2
InChI Key:	RYCSPDIZWBMOTJ-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	2.99590

Publication Number	Title	Priority Date
CZ-2015444-A3	Substituted nitrobenzyltetrazole, its use and the pharmaceutical composition containing it	20150626
CZ-307936-B6	Substituted nitrobenzyltetrazole, its use and pharmaceutical composition containing it	20150626
CA-2964683-A1	Fluorinated benzofuranyl-pyrimidine derivatives containing a sulfone group	20141016
CA-2964696-A1	Fluorinated benzofuranyl-pyrimidine derivatives containing a sulfoximine group	20141016
EP-3207037-A1	Fluorinated benzofuranyl-pyrimidine derivatives containing a sulfone group	20141016

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Complexity:	173
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.9992843
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	188.9992843
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2