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
2.7275 0.3249 0.5239 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8573 -0.3458 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4262 -0.1491 -0.1061 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4083 -1.2428 -0.4249 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7722 -1.1418 -0.4265 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4149 0.0353 -0.1166 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6106 1.1012 0.1932 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2080 1.0172 0.1998 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7156 2.4487 0.5736 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.5713 1.1172 1.2157 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8036 0.0749 0.3972 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2016 -1.1474 -0.8356 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0668 -2.1787 -0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4023 -2.0107 -0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4922 0.0514 -0.1349 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0614 2.0453 0.4431 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