Monomers
3-Chlorostyrene
Identifiers
IUPAC name
1-chloro-3-ethenylbenzene
InchI
InChI=1S/C8H7Cl/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2
InchI Key
BOVQCIDBZXNFEJ-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)Cl
Canonical SMILES
C=CC1=CC(=CC=C1)Cl
Isomeric SMILES
C=CC1=CC(=CC=C1)Cl
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
-2.7624 0.1017 0.5329 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8302 -0.6031 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4364 -0.2160 -0.0522 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0504 0.9224 0.5335 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4019 1.2364 0.4866 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3044 0.4254 -0.1447 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8423 -0.7274 -0.7431 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4881 -1.0464 -0.6986 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9078 -1.8356 -1.5769 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.5192 1.0165 1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7930 -0.2113 0.5254 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1496 -1.5376 -0.5357 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6325 1.5915 1.0438 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6988 2.1601 0.9786 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3324 0.6672 -0.1786 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0970 -1.9437 -1.1590 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
7 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
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers