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
-2.8153 0.0827 -0.0518 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8075 -0.7155 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4325 -0.2634 0.0604 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0417 1.0174 -0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2988 1.4023 -0.3327 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3022 0.4930 -0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9208 -0.7914 0.2173 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6079 -1.1802 0.2989 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1561 -1.9868 0.5270 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.6697 1.1146 -0.3057 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8545 -0.2225 0.0121 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0142 -1.7501 0.4109 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8272 1.7614 -0.4452 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5275 2.4344 -0.5856 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3466 0.7971 -0.1601 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3026 -2.1929 0.5462 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