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
2.7279 0.3363 -0.3859 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8238 -0.4058 0.2071 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3972 -0.1590 0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1505 0.8711 -0.6349 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5386 1.0617 -0.7054 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3590 0.1892 -0.0203 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8354 -0.8440 0.7154 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4673 -1.0247 0.7795 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2501 -2.3279 1.7045 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7955 0.1546 -0.3059 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4325 1.1697 -0.9857 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2075 -1.2296 0.7953 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5114 1.5519 -1.1705 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9110 1.8868 -1.2951 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4330 0.3268 -0.0675 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4512 -1.5572 1.2725 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