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
0.7238 0.5393 1.5147 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6310 0.3685 0.2132 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5246 -0.3194 -0.3197 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6140 -0.4889 -1.6257 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7722 -0.9090 0.7713 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.5478 1.0378 1.9813 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0633 0.1620 2.1443 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4324 0.7528 -0.4263 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5074 -1.0157 -1.9839 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1466 -0.1275 -2.2693 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