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
2.7212 -0.5585 -0.5037 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9187 0.3937 -0.1622 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4596 0.2379 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3150 1.3237 0.3116 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6808 1.2360 0.4196 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3123 0.0378 0.1491 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5560 -1.0652 -0.2295 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1849 -0.9416 -0.3281 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4026 -2.5598 -0.5612 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.3468 -1.5386 -0.7389 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7947 -0.4032 -0.5647 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3337 1.3686 0.0676 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1838 2.2676 0.5246 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3035 2.0778 0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3851 -0.0471 0.2295 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3816 -1.8292 -0.6287 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