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
1.6982 -0.1478 0.5254 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5047 0.0966 0.2447 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8162 0.3673 -0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3650 -0.5148 -0.9607 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8584 1.6439 0.4964 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.0988 -1.0831 -0.0549 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4499 0.2346 1.1403 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5010 1.0818 1.2942 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4037 -0.3605 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8094 -1.3179 -1.3706 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