Monomers
2-Chlorostyrene
Identifiers
IUPAC name
1-chloro-2-ethenylbenzene
InchI
InChI=1S/C8H7Cl/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2
InchI Key
ISRGONDNXBCDBM-UHFFFAOYSA-N
SMILES
C=Cc1ccccc1Cl
Canonical SMILES
C=CC1=CC=CC=C1Cl
Isomeric SMILES
C=CC1=CC=CC=C1Cl
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
2.5740 -1.0414 0.1817 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8911 0.0333 -0.1353 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4463 0.1021 -0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3430 -0.9394 0.3387 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7328 -0.8418 0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3634 0.3118 0.0501 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5847 1.3806 -0.3607 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2046 1.2703 -0.4141 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7855 2.6304 -0.9369 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.0952 -1.9418 0.5162 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6509 -1.0839 0.1254 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4932 0.8856 -0.4616 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1166 -1.8692 0.6214 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3219 -1.6785 0.7173 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4385 0.4542 0.0727 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0639 2.3278 -0.6481 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
8 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
7 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers