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
2.7552 0.6935 0.2045 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5457 1.0547 0.5446 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3184 0.3275 0.1833 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3450 -0.8266 -0.5643 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8253 -1.4913 -0.8902 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0645 -1.0380 -0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0556 0.1199 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9159 0.7931 0.5931 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6087 0.7483 0.8020 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.6044 1.3088 0.5268 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9112 -0.1898 -0.3797 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4131 1.9688 1.1466 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3081 -1.2270 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7972 -2.4158 -1.4897 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9903 -1.5387 -0.7295 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9436 1.7125 1.1893 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