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
2.4593 1.2350 0.3049 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9223 0.1123 -0.1048 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4965 -0.0941 -0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0099 -1.3078 -0.5269 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3370 -1.6092 -0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1968 -0.6374 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7816 0.5934 0.3777 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4091 0.8350 0.3678 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9096 1.8025 0.9521 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.8987 2.0687 0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5545 1.3606 0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6168 -0.6600 -0.4695 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7109 -2.0680 -0.8874 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6926 -2.5764 -0.9044 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2599 -0.8526 -0.0886 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0825 1.7980 0.7297 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