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
2.7928 0.5807 0.2157 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9303 -0.3096 -0.2182 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4932 -0.1694 -0.1024 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1510 0.8992 0.4691 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5353 0.9695 0.5471 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3326 -0.0336 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6973 -1.1134 -0.5239 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3260 -1.1780 -0.5987 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0993 0.0531 0.1511 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.4454 1.4871 0.6944 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8563 0.4156 0.0983 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3522 -1.2005 -0.6911 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4724 1.7084 0.8683 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0170 1.8182 1.0001 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3422 -1.8961 -0.9088 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1583 -2.0312 -1.0540 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