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
-1.0855 -1.2482 0.6376 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2204 -0.7222 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2697 0.6171 0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1390 1.1991 -0.7456 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2820 1.5411 1.4567 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.4209 -0.6836 1.4924 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4988 -2.2502 0.5158 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1290 -1.2666 -1.0551 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4885 2.1813 -0.5492 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4814 0.6320 -1.6117 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