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
2.8085 0.3700 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8795 -0.5602 -0.1598 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4636 -0.2708 -0.0436 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4706 -1.3137 -0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8226 -1.0853 0.1042 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3034 0.2088 0.1809 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4101 1.2521 0.1457 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0596 0.9959 0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0432 0.5092 0.3220 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.5826 1.4242 -0.1509 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8692 0.1395 -0.2885 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2009 -1.5890 -0.2163 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0693 -2.3120 -0.0668 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5346 -1.8951 0.1329 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7183 2.2818 0.2011 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6272 1.8447 0.0099 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