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139185-44-7 | 2-Butyne, 1,1-dichloro-
CAS No: 139185-44-7 Catalog No: AG001AGJ MDL No:
Product Description
Catalog Number:
AG001AGJ
Chemical Name:
2-Butyne, 1,1-dichloro-
CAS Number:
139185-44-7
Molecular Formula:
C4H4Cl2
Molecular Weight:
122.9806
IUPAC Name:
1,1-dichlorobut-2-yne
InChI:
InChI=1S/C4H4Cl2/c1-2-3-4(5)6/h4H,1H3
InChI Key:
HIBREDQLOHWYLQ-UHFFFAOYSA-N
SMILES:
ClC(C#CC)Cl
Properties
Complexity:
82.2
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:
2.2
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