Monomers
3-Chlorostyrene
Identifiers
IUPAC name
1-chloro-3-ethenylbenzene
InchI
InChI=1S/C8H7Cl/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2
InchI Key
BOVQCIDBZXNFEJ-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)Cl
Canonical SMILES
C=CC1=CC(=CC=C1)Cl
Isomeric SMILES
C=CC1=CC(=CC=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
-2.8063 -0.1439 -0.0606 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7307 -0.8908 -0.1995 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3855 -0.3594 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7205 -1.2016 -0.2347 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0171 -0.7540 -0.1297 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2862 0.5658 0.1401 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2164 1.4197 0.3006 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0918 0.9587 0.1927 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5273 3.1045 0.6446 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.8137 -0.5563 -0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7847 0.9087 0.1523 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8668 -1.9403 -0.4131 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4859 -2.2529 -0.4499 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8388 -1.4415 -0.2593 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3125 0.9229 0.2239 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9251 1.6603 0.3250 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
7 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
6 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers