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
-2.7307 0.4084 0.2841 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8626 -0.4926 -0.0703 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4260 -0.2742 -0.0714 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4423 -1.2754 -0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8140 -1.1296 -0.4825 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3062 0.0972 -0.0885 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4453 1.1112 0.3041 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0746 0.9444 0.3194 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1040 2.6663 0.8018 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.5110 1.4133 0.6166 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7873 0.1664 0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2308 -1.4771 -0.3881 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0321 -2.2448 -0.7702 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4673 -1.9281 -0.7903 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3914 0.2363 -0.0981 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5288 1.7779 0.6366 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