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
-1.7356 0.3887 0.0952 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4462 0.4715 0.3655 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5075 -0.3919 -0.2832 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7752 -0.3116 -0.0184 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0450 -1.5639 -1.4420 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.4716 1.0239 0.5672 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1187 -0.3277 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1384 1.2256 1.1038 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1336 0.4136 0.7011 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5393 -0.9282 -0.4691 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