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
-1.0328 0.6065 -1.2941 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5879 -0.2517 -0.4073 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5411 0.1334 0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9681 -0.7412 1.3083 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3020 1.7133 0.2643 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-0.5540 1.5765 -1.3846 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8719 0.3458 -1.9299 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0662 -1.2101 -0.3226 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7955 -0.4793 1.9324 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5061 -1.6933 1.4045 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