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
2.6628 -0.7499 -0.3566 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8994 0.3111 -0.3091 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4796 0.1958 -0.0856 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1358 -1.0214 0.0867 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5196 -1.0469 0.2989 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2765 0.0913 0.3404 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6431 1.2941 0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2993 1.3616 -0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0221 0.0449 0.6089 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.3342 -1.7475 -0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7401 -0.6023 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3577 1.3010 -0.4428 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4036 -1.9576 0.0652 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0040 -2.0048 0.4345 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1959 2.2247 0.1901 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2189 2.3058 -0.1824 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