Monomers
3-Chlorostyrene
Identifiers
IUPAC name
1-chloro-3-ethenylbenzene
InchI
InChI=1S/C8H7Cl/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2
InchI Key
BOVQCIDBZXNFEJ-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)Cl
Canonical SMILES
C=CC1=CC(=CC=C1)Cl
Isomeric SMILES
C=CC1=CC(=CC=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
2.6345 -0.8651 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9321 0.2057 -0.2585 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4855 0.2122 -0.1163 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2349 1.3789 -0.4176 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5910 1.3893 -0.2858 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2982 0.2907 0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6317 -0.8765 0.4431 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2378 -0.8752 0.3037 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4725 -2.3149 0.9870 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7302 -0.8507 -0.0999 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2316 -1.7973 0.3524 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4343 1.1015 -0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3003 2.2472 -0.7488 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1798 2.2833 -0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3775 0.2745 0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2749 -1.8038 0.5495 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
7 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
6 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers