Monomers
2,3-Dichloro-1,3-butadiene
Identifiers
IUPAC name
2,3-dichlorobuta-1,3-diene
InchI
InChI=1S/C4H4Cl2/c1-3(5)4(2)6/h1-2H2
InchI Key
LIFLRQVHKGGNSG-UHFFFAOYSA-N
SMILES
ClC(=C)C(=C)Cl
Canonical SMILES
C=C(C(=C)Cl)Cl
Isomeric SMILES
C=C(C(=C)Cl)Cl
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C4H4Cl2
Heavy Atom Count
6
Molecular Weight
122.982
Exact Molecular Weight
121.969
Valence Electrons
34
Radical Electrons
0
tPSA
0.0
MolLogP
2.4914
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
10 9 0 0 0 0 0 0 0 0999 V2000
-1.0364 1.3411 -1.3583 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-0.6827 0.1532 -0.1476 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6678 -0.4417 0.4744 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6816 -0.1614 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6478 0.4577 -0.4905 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0913 -1.3661 1.3830 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.7051 -0.2203 0.2618 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4918 -1.1978 1.2457 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4809 1.2044 -1.2522 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6823 0.2309 -0.2723 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
2 4 1 0
4 5 2 3
4 6 1 0
3 7 1 0
3 8 1 0
5 9 1 0
5 10 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers