1- Hexyl- 2- (4- bromophenyl) acetylene - CAS 252011-38-4

Name: 1- Hexyl- 2- (4- bromophenyl) acetylene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB063558
Product Name:	1- Hexyl- 2- (4- bromophenyl) acetylene
CAS:	252011-38-4
Synonyms:	1-Bromo-4-(1-octyn-1-yl)benzene; 1-Bromo-4-(oct-1-ynyl)benzene; 1-Hexyl-2-(4-bromophenyl)acetylene

Technical Data

IUPAC Name:	1-bromo-4-oct-1-ynylbenzene
Description:	1- Hexyl- 2- (4- bromophenyl) acetylene is a reagent used in the synthesis of [n]cyclo-para-phenylenes to form nanoporous packing structures. Also a component in the improvement of aqueous solubility of retanoic acid receptor (RAR) agonists.
Molecular Weight:	265.19
Molecular Formula:	C14H17Br
Canonical SMILES:	CCCCCCC#CC1=CC=C(C=C1)Br
InChI:	InChI=1S/C14H17Br/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12H,2-6H2,1H3
InChI Key:	ZMKNQFUPVRRNGB-UHFFFAOYSA-N
References:	Ikemoto, K. et al. Chem. Lett., 45, 658 (2016); Hiramatsu, M. et al. Chem. Asian J., 11, 2210 (2016).

Complexity:	212
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	264.05136
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	264.05136
Rotatable Bond Count:	5
Topological Polar Surface Area:	0Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6