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
-2.7309 -0.4368 0.6061 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8912 0.4879 0.2076 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4727 0.2256 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1375 -0.9725 0.2366 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5150 -1.1765 0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2925 -0.1229 -0.3774 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6841 1.0884 -0.5938 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3347 1.2915 -0.4068 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0060 -0.3731 -0.6169 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3766 -1.4240 0.8077 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7872 -0.2607 0.7479 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3130 1.4804 0.0167 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4755 -1.8124 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9126 -2.1741 0.2416 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3097 1.9196 -0.9291 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1450 2.2595 -0.5809 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