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
2.8032 -0.1483 0.4634 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8155 -0.6341 -0.2829 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4308 -0.2132 -0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0099 0.7219 0.7844 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3410 1.0875 0.8799 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2901 0.5237 0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8801 -0.4142 -0.8673 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5337 -0.7714 -0.9547 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0495 -1.1708 -1.9475 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6217 0.5882 1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8226 -0.4813 0.3294 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0447 -1.3912 -1.0523 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7334 1.1850 1.4474 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6262 1.8247 1.6152 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3396 0.8024 0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2216 -1.5089 -1.6845 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