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
-2.8078 -0.0444 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7686 -0.7868 0.2361 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4209 -0.2885 0.0907 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1079 0.9792 -0.3361 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2136 1.4254 -0.4642 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2683 0.5967 -0.1621 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9814 -0.6779 0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6832 -1.1076 0.3904 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2707 -1.7875 0.6696 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.7597 0.9791 -0.3843 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8330 -0.4356 0.0787 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9281 -1.7935 0.5766 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9179 1.6655 -0.5851 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4004 2.4381 -0.8063 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2913 0.9584 -0.2669 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4351 -2.1204 0.7314 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