Monomers
4-Chlorostyrene
Identifiers
IUPAC name
1-chloro-4-ethenylbenzene
InchI
InChI=1S/C8H7Cl/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2
InchI Key
KTZVZZJJVJQZHV-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)Cl
Canonical SMILES
C=CC1=CC=C(C=C1)Cl
Isomeric SMILES
C=CC1=CC=C(C=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
-2.5117 0.3334 -1.2934 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9698 -0.0470 -0.1677 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5361 -0.0462 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0206 -0.4669 1.2780 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3235 -0.4968 1.5626 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2327 -0.1079 0.6322 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7529 0.3109 -0.5891 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3909 0.3454 -0.8888 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9608 -0.1187 0.9224 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.8763 0.6605 -2.0955 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5967 0.3060 -1.3815 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6155 -0.3764 0.6394 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7549 -0.7777 2.0202 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6707 -0.8315 2.5334 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4726 0.6280 -1.3508 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0774 0.6849 -1.8675 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
6 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
7 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers