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144001-08-1 | Benzene, 1-bromo-3,5-diethynyl-
CAS No: 144001-08-1 Catalog No: AG001IRR MDL No:MFCD27665569
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:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.957g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.054g/mol
Monoisotopic Mass:
203.957g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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 |
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