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
2.7214 -0.6503 -0.0649 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8894 0.3095 0.2389 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4696 0.1523 0.0875 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1257 -0.9834 -0.3753 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5204 -1.0850 -0.5043 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3243 -0.0261 -0.1616 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7230 1.1267 0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3625 1.2231 0.4328 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7005 2.5270 0.7669 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.4043 -1.6239 -0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7934 -0.4481 0.0807 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2794 1.2440 0.6132 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4630 -1.8296 -0.6527 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9368 -2.0037 -0.8744 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3948 -0.0898 -0.2553 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0673 2.1572 0.8096 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