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
2.7885 -0.5614 0.1386 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9124 0.4075 0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4810 0.2005 0.0803 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -1.0072 -0.1991 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4876 -1.1188 -0.3427 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3294 -0.0373 -0.2118 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7427 1.1782 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3767 1.2979 0.2128 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0679 -0.1866 -0.3929 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.8479 -0.3790 0.2663 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4550 -1.5556 -0.0791 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2946 1.4227 0.4713 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5295 -1.8897 -0.3114 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9111 -2.0715 -0.5604 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3876 2.0393 0.1765 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0890 2.2610 0.4362 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