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13676-58-9 | 1-Butene, 1,4-dichloro-
CAS No: 13676-58-9 Catalog No: AG0012BI MDL No:
Product Description
Catalog Number:
AG0012BI
Chemical Name:
1-Butene, 1,4-dichloro-
CAS Number:
13676-58-9
Molecular Formula:
C4H6Cl2
Molecular Weight:
124.9964
IUPAC Name:
1,4-dichlorobut-1-ene
InChI:
InChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1,3H,2,4H2
InChI Key:
SWSOIFQIPTXLOI-UHFFFAOYSA-N
SMILES:
ClCCC=CCl
Properties
Complexity:
40.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.985g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.992g/mol
Monoisotopic Mass:
123.985g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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