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
2.5604 -0.9486 0.3034 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8526 0.0324 -0.2094 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4146 0.0820 -0.0915 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3159 -0.8805 0.5579 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6892 -0.7785 0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3304 0.2987 0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5887 1.2691 -0.5944 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2206 1.1746 -0.6784 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7266 2.4155 -1.5163 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.6584 -0.9631 0.1994 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1395 -1.7642 0.8334 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3899 0.8052 -0.7258 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1701 -1.7397 1.0209 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2822 -1.5243 1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4131 0.3851 0.1204 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0721 2.1365 -1.0625 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