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
2.7589 0.4916 0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8687 -0.2184 -0.5457 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4470 -0.1560 -0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4559 -0.9398 -0.9653 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8068 -0.9065 -0.7087 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3165 -0.0898 0.2775 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4434 0.6939 1.0023 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0914 0.6511 0.7351 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1141 1.7283 2.2555 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.8245 0.4240 -0.1532 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4831 1.1645 0.8844 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1714 -0.9021 -1.3513 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0509 -1.5945 -1.7553 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4309 -1.5496 -1.3185 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3968 -0.0813 0.4626 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5532 1.2847 1.3309 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