Monomers
2-Chlorostyrene
Identifiers
IUPAC name
1-chloro-2-ethenylbenzene
InchI
InChI=1S/C8H7Cl/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2
InchI Key
ISRGONDNXBCDBM-UHFFFAOYSA-N
SMILES
C=Cc1ccccc1Cl
Canonical SMILES
C=CC1=CC=CC=C1Cl
Isomeric SMILES
C=CC1=CC=CC=C1Cl
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
2.8183 0.2206 0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7758 -0.3244 -0.5042 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3726 -0.1374 -0.1878 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5279 -1.1831 -0.5098 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8710 -1.0732 -0.2586 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3985 0.0711 0.3226 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5416 1.0985 0.6425 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1655 0.9744 0.3794 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8993 2.3246 0.7652 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.8105 -0.0469 -0.3404 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7894 0.9050 0.8523 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0139 -1.0390 -1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1063 -2.0764 -0.9651 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5489 -1.8762 -0.5079 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4471 0.1427 0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8731 2.0198 1.0962 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
8 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
7 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers