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
2.7686 0.5208 -0.1227 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8846 -0.4442 -0.2425 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4635 -0.2192 -0.0815 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0708 1.0177 0.2082 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4283 1.2134 0.3582 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3104 0.1702 0.2228 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8162 -1.0990 -0.0701 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4599 -1.2615 -0.2134 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9545 -2.4196 -0.2397 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.5497 1.5540 0.1008 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8174 0.2620 -0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2003 -1.4523 -0.4689 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6016 1.8804 0.3248 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8015 2.1959 0.5842 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3849 0.3136 0.3392 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0592 -2.2322 -0.4392 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