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
2.7730 0.4340 0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8306 -0.1711 -0.4277 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4150 -0.1279 -0.1916 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3965 -1.2089 -0.5916 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7464 -1.2012 -0.4057 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3885 -0.1267 0.1874 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6266 0.9419 0.5875 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2392 0.9223 0.3904 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6382 2.3767 0.9114 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6160 1.0802 1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8262 0.3217 -0.0649 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1484 -0.8086 -1.2763 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1088 -2.0441 -1.0534 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3835 -2.0376 -0.7139 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4613 -0.1467 0.3233 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1143 1.7961 1.0559 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