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
2.7223 -0.6951 0.1804 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9428 0.3279 -0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5030 0.2116 -0.0229 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2992 1.3391 -0.2281 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6730 1.2695 -0.2497 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3073 0.0597 -0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5480 -1.0715 0.1394 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1487 -0.9742 0.1571 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0668 -0.0483 -0.0899 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.4184 -1.7163 0.3417 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8194 -0.5684 0.1859 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3725 1.3179 -0.1605 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1678 2.3154 -0.3779 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3003 2.1485 -0.4098 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0284 -2.0337 0.2866 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4255 -1.8820 0.3206 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