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
-2.8049 0.1411 -0.2417 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8044 -0.7035 -0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4272 -0.2615 -0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0556 1.0407 0.1483 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2844 1.4124 0.3285 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2812 0.4687 0.2827 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9359 -0.8405 0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6176 -1.1926 -0.1181 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2013 -2.0485 -0.0024 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.7211 1.2017 -0.0774 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8065 -0.2356 -0.3911 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0139 -1.7571 -0.4477 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8332 1.8072 0.1885 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5253 2.4550 0.5049 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3077 0.7446 0.4194 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3135 -2.2322 -0.2999 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