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
2.8351 -0.1232 -0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7656 -0.8336 0.1932 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4109 -0.3271 0.0901 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1087 0.9475 -0.3271 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2065 1.4186 -0.4202 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2458 0.5799 -0.0827 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9589 -0.7011 0.3375 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6659 -1.1513 0.4246 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9074 1.1306 -0.1853 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.8397 -0.5358 -0.0132 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8046 0.8985 -0.4474 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9176 -1.8582 0.5332 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9319 1.6165 -0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3787 2.4370 -0.7571 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8023 -1.3378 0.5965 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4486 -2.1606 0.7561 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