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
2.3967 1.2382 0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9324 0.4073 -0.0335 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5244 0.0522 -0.0798 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4425 0.5346 0.7689 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7780 0.1354 0.6494 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1841 -0.7507 -0.3142 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2188 -1.2352 -1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0999 -0.8520 -1.0603 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8443 -1.2733 -0.4947 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.4432 1.4763 0.8503 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7632 1.6928 1.5711 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6204 -0.0290 -0.7501 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1499 1.2400 1.5443 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5108 0.5376 1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5166 -1.9383 -1.9362 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8647 -1.2359 -1.7344 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