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
1.7483 0.2295 -0.2204 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6424 -0.0743 0.4287 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6219 0.0212 -0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7794 -0.2680 0.3352 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6674 0.5395 -1.9314 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6990 0.1626 0.2757 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7227 0.5500 -1.2584 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7007 -0.3915 1.4657 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7417 -0.5857 1.3674 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7028 -0.1833 -0.2103 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