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
-2.7073 0.8507 -0.1427 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9742 -0.2088 0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5233 -0.1468 0.0184 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2269 0.9936 -0.1457 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6278 0.9788 -0.1347 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3128 -0.2009 0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5729 -1.3536 0.2101 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1977 -1.3359 0.1989 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0667 -0.2745 0.0660 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.7782 0.7614 -0.1361 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2628 1.8096 -0.2817 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4586 -1.1698 0.1576 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2894 1.9378 -0.2886 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1999 1.8858 -0.2653 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1397 -2.2720 0.3496 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3506 -2.2555 0.3315 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