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
2.7389 0.5372 0.2421 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9003 -0.4634 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4655 -0.2547 0.0254 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3727 -1.3734 -0.0921 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7377 -1.2365 -0.1943 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3423 0.0004 -0.1862 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5467 1.1197 -0.0721 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1643 0.9600 0.0306 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2228 2.7439 -0.0520 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.8031 0.3641 0.3189 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4382 1.5723 0.2652 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3015 -1.4640 0.1165 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0814 -2.3649 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3899 -2.1106 -0.2859 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4156 0.1164 -0.2662 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4630 1.8536 0.1211 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