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821-10-3 | 1,4-Dichlorobut-2-yne
CAS No: 821-10-3 Catalog No: AG003DO4 MDL No:MFCD00000981
Product Description
Catalog Number:
AG003DO4
Chemical Name:
1,4-Dichlorobut-2-yne
CAS Number:
821-10-3
Molecular Formula:
C4H4Cl2
Molecular Weight:
122.9806
MDL Number:
MFCD00000981
IUPAC Name:
1,4-dichlorobut-2-yne
InChI:
InChI=1S/C4H4Cl2/c5-3-1-2-4-6/h3-4H2
InChI Key:
RCHDLEVSZBOHOS-UHFFFAOYSA-N
SMILES:
ClCC#CCCl
EC Number:
212-474-8
NSC Number:
30603
Properties
Complexity:
66
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.969g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.976g/mol
Monoisotopic Mass:
121.969g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| A new cumulene diiron complex related to the active site of Fe-only hydrogenases and its phosphine substituted derivatives: synthesis, electrochemistry and structural characterization. | Journal of inorganic biochemistry 20110901 |
| Bis(amino acid) derivatives of 1,4-diamino-2-butyne that adopt a C2-symmetric turn conformation. | Organic & biomolecular chemistry 20051121 |
| Reduction of 1,4-dichlorobut-2-yne by titanocene to a 1,2,3-butatriene. Formation of a 1-titanacyclopent-3-yne and a 2,5-dititanabicyclo[2.2.0]hex-1(4)-ene. | Chemical communications (Cambridge, England) 20040921 |
| Synthesis and structure of 1-zirconacyclopent-3-yne complexes without substituents adjacent to the triple bond. | Journal of the American Chemical Society 20040114 |
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