Monomers
Chloroprene
Identifiers
IUPAC name
2-chlorobuta-1,3-diene
InchI
InChI=1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2
InchI Key
YACLQRRMGMJLJV-UHFFFAOYSA-N
SMILES
C=CC(=C)Cl
Canonical SMILES
C=CC(=C)Cl
Isomeric SMILES
C=CC(=C)Cl
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C4H5Cl
Heavy Atom Count
5
Molecular Weight
88.537
Exact Molecular Weight
88.008
Valence Electrons
28
Radical Electrons
0
tPSA
0.0
MolLogP
1.9249
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
-1.7603 -0.1620 0.0464 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5734 0.3355 0.3067 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6180 -0.2482 -0.2454 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7915 0.2793 0.0388 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4690 -1.6472 -1.2818 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.9406 -1.0212 -0.5817 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6708 0.2838 0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5029 1.1924 0.9434 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6845 -0.1501 -0.3689 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8850 1.1376 0.6744 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 3
3 5 1 0
1 6 1 0
1 7 1 0
2 8 1 0
4 9 1 0
4 10 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers