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
1.7028 0.5465 0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6912 -0.2960 0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6563 0.1869 -0.0559 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6698 -0.6309 -0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9469 1.8788 -0.2581 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.5014 1.5980 -0.0956 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6954 0.1369 0.1296 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8915 -1.3773 0.1998 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7032 -0.3327 -0.1085 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5062 -1.7102 0.1078 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