CAS 589-15-1 | 4-Bromobenzyl Bromide | CAS Number 589-15-1

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589-15-1 | 4-Bromobenzyl Bromide

CAS No: 589-15-1 Catalog No: AG0033Y9 MDL No:MFCD00000179

Product Description

Catalog Number:

AG0033Y9

Chemical Name:

4-Bromobenzyl Bromide

CAS Number:

589-15-1

Molecular Formula:

C7H6Br2

Molecular Weight:

249.9305

MDL Number:

MFCD00000179

IUPAC Name:

1-bromo-4-(bromomethyl)benzene

InChI:

InChI=1S/C7H6Br2/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2

InChI Key:

YLRBJYMANQKEAW-UHFFFAOYSA-N

SMILES:

BrCc1ccc(cc1)Br

EC Number:

209-636-5

UNII:

3D1TTL8BGN

NSC Number:

113584

Properties

Complexity:

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

249.882g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

249.933g/mol

Monoisotopic Mass:

247.884g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4

Literature

Title	Journal
Synthesis, X-ray analysis, and biological evaluation of a new class of stereopure lactam-based HIV-1 protease inhibitors.	Journal of medicinal chemistry 20120322
Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.	Journal of medicinal chemistry 20120112
Synthesis and PET studies of [(11)C-cyano]letrozole (Femara), an aromatase inhibitor drug.	Nuclear medicine and biology 20090201
3,6-Dibromo-9-(4-bromo-benz-yl)-9H-carbazole.	Acta crystallographica. Section E, Structure reports online 20090201
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
Solution-phase synthesis of an aminomethyl-substituted biaryl library via sequential amine N-alkylation and Suzuki cross-coupling.	Journal of combinatorial chemistry 20010101