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
-2.7641 -0.2572 -0.1327 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8024 0.4302 -0.6673 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4207 0.2087 -0.2609 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6092 0.9624 -0.8507 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9269 0.7997 -0.5103 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3143 -0.1207 0.4374 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3315 -0.8727 1.0321 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0160 -0.7037 0.6815 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6987 -2.0665 2.2427 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.6349 -1.0089 0.6152 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7970 -0.0844 -0.4435 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0313 1.1824 -1.4294 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2903 1.6867 -1.5985 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7139 1.4008 -0.9855 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3577 -0.2459 0.7034 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7762 -1.3109 1.1663 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