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
2.7309 0.5039 -0.5164 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6264 1.0377 -0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3500 0.3511 0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1913 -0.9490 -0.3876 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0168 -1.6312 -0.3231 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0919 -0.9469 0.1953 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9692 0.3723 0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7497 1.0100 0.5517 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3839 1.1853 1.2860 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.7760 -0.5098 -0.8899 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6718 1.0357 -0.5665 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7099 2.0790 0.3063 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0296 -1.5189 -0.8048 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1480 -2.6513 -0.6538 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0601 -1.4203 0.2732 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6663 2.0523 0.9026 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