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
1.7220 0.0934 0.3967 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6838 -0.2409 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6658 0.1624 -0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7009 -0.1582 -0.7609 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9248 1.1156 1.4522 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.5802 0.6674 1.2858 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7065 -0.2300 0.0952 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8176 -0.8220 -1.2702 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5175 -0.7438 -1.6594 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7010 0.1561 -0.4775 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