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
2.0843 -1.4094 -1.2864 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6849 -1.0429 -0.0963 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4618 -0.2745 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0572 0.1053 1.3725 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0807 0.8289 1.6255 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8969 1.2237 0.5937 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5324 0.8696 -0.6839 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3687 0.1305 -0.9342 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3660 2.1528 0.8718 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.5637 -1.1849 -2.2114 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0198 -1.9932 -1.3859 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2813 -1.3213 0.7558 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7047 -0.2096 2.1742 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3911 1.1213 2.6242 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1169 1.1389 -1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1050 -0.1351 -1.9506 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