Name: Name:Benzene, 1-bromo-3,5-diethynyl-
Brand: Angene
SKU: AG001IRR
Rating: 90 (10 reviews)

Benzene, 1-bromo-3,5-diethynyl-

CAS No.:

144001-08-1

Catalog Number:

AG001IRR

Molecular Formula:

C10H5Br

Molecular Weight:

205.0507

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

200mg

>98.0%(GC)

1 week

United States

$187

- +

Product Description

Catalog Number:

AG001IRR

Chemical Name:

Benzene, 1-bromo-3,5-diethynyl-

CAS Number:

144001-08-1

Molecular Formula:

C10H5Br

Molecular Weight:

205.0507

MDL Number:

MFCD27665569

IUPAC Name:

1-bromo-3,5-diethynylbenzene

InChI:

InChI=1S/C10H5Br/c1-3-8-5-9(4-2)7-10(11)6-8/h1-2,5-7H

InChI Key:

FEAVPUWKVFVMIF-UHFFFAOYSA-N

SMILES:

C#Cc1cc(Br)cc(c1)C#C

Properties

Complexity:

200

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

203.957g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

205.054g/mol

Monoisotopic Mass:

203.957g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1

Literature

Title	Journal
Crystallographic coincidence of two bridging species in a dinuclear Co ethynyl-benzene complex.	Acta crystallographica. Section E, Structure reports online 20110701