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
2.6846 -0.7002 0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8650 0.3183 0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4330 0.1433 -0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1961 -1.0543 0.1081 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5696 -1.1511 0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3581 -0.0216 -0.0611 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7495 1.2193 -0.1783 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3825 1.2773 -0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3697 2.8680 -0.2986 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -0.4716 0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3008 -1.6819 0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2913 1.3178 -0.0803 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3527 -1.9696 0.2213 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0366 -2.1195 0.1732 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4399 -0.1016 -0.0816 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3250 2.1274 -0.2914 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