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
2.7795 -0.5691 0.2702 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9258 0.3862 0.0523 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4853 0.2277 -0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3398 1.3100 -0.2476 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7121 1.1823 -0.3103 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3226 -0.0420 -0.1363 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5158 -1.1333 0.1023 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1287 -0.9847 0.1623 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0781 -0.1953 -0.2183 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.8352 -0.3641 0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4744 -1.5876 0.4275 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3238 1.4061 -0.0995 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1327 2.2952 -0.3887 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3623 2.0381 -0.4985 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9785 -2.1132 0.2431 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4813 -1.8562 0.3508 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