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
0.7265 -1.0943 1.7681 Cl 0 0 0 0 0 0 0 0 0 0 0 0
0.5481 -0.4438 0.1631 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4245 -0.7743 -0.7396 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5354 0.4408 -0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4227 0.7777 0.7252 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7153 1.0923 -1.7866 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.2307 -1.4358 -0.4732 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3507 -0.3985 -1.7309 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2588 1.4471 0.4998 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3482 0.3887 1.7557 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