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
2.8263 -0.1056 0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7433 -0.6580 0.4816 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3559 -0.2280 0.2566 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -1.1876 0.3018 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9615 -0.8776 0.1245 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3412 0.4219 -0.1102 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3771 1.3935 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0298 1.0613 0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1636 2.3369 -0.0120 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7888 -0.5431 0.2903 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8441 0.7508 -0.5911 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8296 -1.5689 1.1227 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3470 -2.2169 0.4871 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7545 -1.6358 0.1605 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4097 0.6419 -0.2503 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 2.4153 -0.3458 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