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
2.7516 -0.5057 -0.1172 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8527 0.4254 -0.1403 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4162 0.1901 -0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1251 -1.0465 0.0911 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4986 -1.2486 0.1861 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3595 -0.1764 0.1494 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7983 1.0740 0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4596 1.2727 -0.0757 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1423 2.9098 -0.2416 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.4663 -1.5426 -0.0177 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7997 -0.2619 -0.1968 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1965 1.4658 -0.2434 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4908 -1.9344 0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9336 -2.2388 0.2904 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4499 -0.2934 0.2213 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4913 1.9104 -0.0104 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