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
2.7198 -0.6113 0.5793 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8241 0.3509 0.6275 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4554 0.1777 0.1849 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0608 -0.9869 -0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4016 -1.0544 -0.7285 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2450 0.0270 -0.6282 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7301 1.1968 -0.1149 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4041 1.2755 0.2858 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9271 -0.0386 -1.1258 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7441 -0.4883 0.9084 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4567 -1.5834 0.1994 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1798 1.3132 1.0305 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5793 -1.8545 -0.4179 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7905 -1.9794 -1.1291 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3951 2.0587 -0.0329 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0049 2.1971 0.6884 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