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
-2.7915 -0.2941 0.5039 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8103 0.5537 0.5564 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4361 0.2624 0.1739 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0444 -0.9799 -0.2928 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2829 -1.2109 -0.6468 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2544 -0.2364 -0.5532 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8600 1.0014 -0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5517 1.2225 0.2596 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9263 -0.5549 -1.0076 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.7880 -0.0305 0.7975 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6713 -1.3319 0.1582 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0149 1.5576 0.9097 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7685 -1.7764 -0.3842 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5953 -2.1782 -1.0117 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5998 1.7916 -0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2546 2.2040 0.6256 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