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
0.5686 1.6590 0.4525 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4331 0.5505 -0.2624 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3707 -0.5523 0.2276 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5116 -1.6545 -0.4723 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1824 -0.4540 1.7701 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.1769 2.4725 0.0634 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0736 1.7355 1.4074 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9280 0.4611 -1.2284 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1064 -2.4782 -0.1163 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0090 -1.7397 -1.4483 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