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
-2.7777 -0.2320 -0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6803 -0.9178 -0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3904 -0.3102 -0.1025 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2260 1.0128 0.2042 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0516 1.5588 0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1743 0.7631 0.3578 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0304 -0.5771 0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7745 -1.0805 -0.1714 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4563 -1.6077 -0.0547 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.8016 0.7946 -0.0682 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7358 -0.7422 -0.4891 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7534 -1.9772 -0.5895 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0864 1.6611 0.2726 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1134 2.5965 0.6708 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1478 1.1912 0.5371 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7033 -2.1332 -0.4103 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