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
2.8549 0.2351 -0.1903 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8554 -0.6274 -0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4626 -0.2688 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0065 1.0251 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3672 1.3390 0.1202 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2881 0.3195 0.1627 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8417 -0.9818 0.1061 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5014 -1.2821 0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0205 0.6525 0.2876 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6192 1.2857 -0.1532 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8930 -0.1210 -0.2683 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1048 -1.7010 -0.1778 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7030 1.8556 -0.0108 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7053 2.3643 0.1638 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5734 -1.7858 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1888 -2.3087 -0.0333 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