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
2.6155 0.6825 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8822 -0.0009 0.2976 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4461 -0.0559 0.1491 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2622 0.5731 -0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6589 0.4917 -0.9542 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3518 -0.2387 -0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6816 -0.8875 0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3049 -0.7935 1.0703 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5796 -1.6001 2.3464 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.2303 1.2401 -1.3963 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7041 0.7311 -0.4471 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3811 -0.5155 1.1011 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2627 1.1630 -1.5977 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1752 0.9970 -1.7475 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4409 -0.3063 -0.1101 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2263 -1.4800 1.7352 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