Monomers
4-Chlorostyrene
Identifiers
IUPAC name
1-chloro-4-ethenylbenzene
InchI
InChI=1S/C8H7Cl/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2
InchI Key
KTZVZZJJVJQZHV-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)Cl
Canonical SMILES
C=CC1=CC=C(C=C1)Cl
Isomeric SMILES
C=CC1=CC=C(C=C1)Cl
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H7Cl
Heavy Atom Count
9
Molecular Weight
138.597
Exact Molecular Weight
138.0236
Valence Electrons
46
Radical Electrons
0
tPSA
0.0
MolLogP
2.983
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
16 16 0 0 0 0 0 0 0 0999 V2000
2.7668 -0.3637 -0.6362 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8555 -0.5809 0.2924 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4637 -0.1927 0.1744 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0652 0.4465 -0.9202 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 0.7940 -0.9769 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2677 0.5131 0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7454 -0.1278 1.1644 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4135 -0.4677 1.2097 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9664 0.9489 -0.0002 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.8103 -0.6821 -0.4893 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4784 0.1356 -1.5545 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1866 -1.0823 1.1935 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5662 0.6918 -1.7667 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8274 1.2972 -1.8364 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4100 -0.3587 1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0253 -0.9712 2.0863 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
6 9 1 0
8 3 1 0
1 10 1 0
1 11 1 0
2 12 1 0
4 13 1 0
5 14 1 0
7 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers