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
2.7715 0.3599 -0.2276 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7235 -0.2698 -0.6828 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3574 -0.1417 -0.2321 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4824 -1.2744 -0.3537 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7937 -1.2194 0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3078 -0.0386 0.5483 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5243 1.0821 0.6813 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1832 0.9972 0.2775 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7823 2.4461 0.4133 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6932 1.0628 0.5671 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7766 0.1992 -0.6359 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9614 -0.9802 -1.5185 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0638 -2.1754 -0.7554 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4627 -2.0526 -0.0435 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3598 -0.0137 0.8519 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8881 2.0186 1.0787 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