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
2.7240 -0.2478 0.3973 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8155 0.5975 0.0326 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4118 0.2137 -0.0165 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0461 -1.0427 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4092 -1.3277 0.2377 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3302 -0.3821 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8414 0.8745 -0.4838 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5153 1.1910 -0.4235 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0129 2.8018 -0.8546 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.4773 -1.2426 0.6712 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7568 0.0702 0.4226 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0649 1.6274 -0.2516 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6373 -1.8084 0.6258 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7420 -2.3189 0.5002 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3851 -0.6020 -0.2166 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6054 1.5960 -0.7937 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