CAS 622-95-7 | 4-Chlorobenzyl bromide | CAS Number 622-95-7

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622-95-7 | 4-Chlorobenzyl bromide

CAS No: 622-95-7 Catalog No: AG00367C MDL No:MFCD00040714

Product Description

Catalog Number:

AG00367C

Chemical Name:

4-Chlorobenzyl bromide

CAS Number:

622-95-7

Molecular Formula:

C7H6BrCl

Molecular Weight:

205.4795

MDL Number:

MFCD00040714

IUPAC Name:

1-(bromomethyl)-4-chlorobenzene

InChI:

InChI=1S/C7H6BrCl/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2

InChI Key:

KQNBRMUBPRGXSL-UHFFFAOYSA-N

SMILES:

BrCc1ccc(cc1)Cl

EC Number:

210-760-7

Properties

Complexity:

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

203.934g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

205.479g/mol

Monoisotopic Mass:

203.934g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4

Literature

Title	Journal
1-[2-(4-Chloro-benz-yloxy)-2-phenyl-ethyl]-1H-benzotriazole.	Acta crystallographica. Section E, Structure reports online 20100601
Discovery of 4-amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamides as selective, orally active inhibitors of protein kinase B (Akt).	Journal of medicinal chemistry 20100311
Synthesis of new N-quaternary-3-benzamidoquinuclidinium salts.	Molecules (Basel, Switzerland) 20060928