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
-2.7873 0.1669 -0.2906 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8083 -0.6787 -0.2152 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4019 -0.2723 -0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0499 1.0550 0.0305 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2880 1.4204 0.1851 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2810 0.4695 0.2583 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9191 -0.8488 0.1751 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6048 -1.2264 0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1684 -2.1003 0.2654 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.8003 -0.2452 -0.4122 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7332 1.2386 -0.2484 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0093 -1.7449 -0.2728 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8261 1.8274 -0.0257 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5163 2.4778 0.2452 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3225 0.7343 0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3163 -2.2733 -0.0436 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