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
-2.8378 0.0780 0.1813 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7342 0.7401 0.4842 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3944 0.2598 0.1594 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1493 -0.9264 -0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1479 -1.3592 -0.7890 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2380 -0.5971 -0.4317 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0032 0.5932 0.2214 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7128 1.0065 0.5076 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3625 1.6061 0.7007 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.7851 0.5121 0.4618 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8536 -0.8669 -0.3274 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7956 1.7109 1.0106 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0108 -1.5253 -0.7726 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2802 -2.2920 -1.2984 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2605 -0.9033 -0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5556 1.9634 1.0311 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