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
-2.5867 0.8243 0.4426 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9405 -0.1144 -0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4765 -0.1362 -0.1686 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1715 -1.1528 -0.8516 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5307 -1.2645 -0.8973 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2680 -0.3137 -0.2278 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6469 0.7073 0.4589 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2770 0.7858 0.4815 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6173 1.9051 1.3033 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.1386 1.6047 0.9885 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6812 0.7913 0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4308 -0.9002 -0.7376 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4305 -1.8982 -1.3771 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0314 -2.0802 -1.4458 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3469 -0.3458 -0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2047 1.5875 1.0209 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