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
-1.6947 -0.1800 0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6992 -0.0343 -0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6805 0.0406 0.3679 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6365 0.1864 -0.5272 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0646 -0.0623 2.0627 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.7274 -0.2381 0.4897 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4495 -0.2432 1.8390 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9412 0.0290 -1.1143 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6887 0.2475 -0.2468 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4417 0.2544 -1.5885 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