CAS 459-46-1 | 4-Fluorobenzyl Bromide | CAS Number 459-46-1

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459-46-1 | 4-Fluorobenzyl Bromide

CAS No: 459-46-1 Catalog No: AG00341E MDL No:MFCD00000359

Product Description

Catalog Number:

AG00341E

Chemical Name:

4-Fluorobenzyl Bromide

CAS Number:

459-46-1

Molecular Formula:

C7H6BrF

Molecular Weight:

189.0249

MDL Number:

MFCD00000359

IUPAC Name:

1-(bromomethyl)-4-fluorobenzene

InChI:

InChI=1S/C7H6BrF/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2

InChI Key:

NVNPLEPBDPJYRZ-UHFFFAOYSA-N

SMILES:

BrCc1ccc(cc1)F

EC Number:

207-291-5

Properties

Complexity:

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

187.964g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

189.027g/mol

Monoisotopic Mass:

187.964g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
N-[3-(4-Fluoro-benz-yl)-2,4-dioxo-1,3-diaza-spiro-[4.5]dec-8-yl]-2-methyl-benzene-sulfonamide.	Acta crystallographica. Section E, Structure reports online 20120101
Structure-based design of novel boronic acid-based inhibitors of autotaxin.	Journal of medicinal chemistry 20110714
Distributed Drug Discovery, Part 3: using D(3) methodology to synthesize analogs of an anti-melanoma compound.	Journal of combinatorial chemistry 20090112
Distributed Drug Discovery, Part 2: global rehearsal of alkylating agents for the synthesis of resin-bound unnatural amino acids and virtual D(3) catalog construction.	Journal of combinatorial chemistry 20090112
Novel quinolinonyl diketo acid derivatives as HIV-1 integrase inhibitors: design, synthesis, and biological activities.	Journal of medicinal chemistry 20080814
Human immunodeficiency virus integrase inhibitors efficiently suppress feline immunodeficiency virus replication in vitro and provide a rationale to redesign antiretroviral treatment for feline AIDS.	Retrovirology 20070101
Synthesis of new glycyrrhetinic acid (GA) derivatives and their effects on tyrosinase activity.	Bioorganic & medicinal chemistry 20031201