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
2.7815 0.4143 0.4076 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9126 -0.4927 0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4830 -0.2313 -0.0291 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1080 0.9577 0.3048 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4902 1.1587 0.2362 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3174 0.1477 -0.1773 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7467 -1.0620 -0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3835 -1.2502 -0.4491 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0607 0.3769 -0.2718 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.4857 1.4273 0.7124 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8468 0.1933 0.4387 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3184 -1.4682 -0.2574 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5242 1.7711 0.6343 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9204 2.1191 0.5106 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4097 -1.8616 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0842 -2.2000 -0.7163 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