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
2.8039 0.3648 0.1671 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8018 -0.3463 0.6326 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4097 -0.1986 0.2339 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5539 -1.0105 0.7993 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8778 -0.8883 0.4371 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3039 0.0389 -0.4967 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3612 0.8539 -1.0689 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0188 0.7213 -0.6935 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8273 2.0524 -2.2600 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.8012 0.1876 0.5184 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5890 1.1200 -0.5687 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0397 -1.1159 1.3858 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2329 -1.7414 1.5327 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6192 -1.5359 0.8932 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3431 0.1210 -0.7683 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6926 1.3771 -1.1630 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