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
2.8139 0.0105 0.2731 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7949 -0.2842 -0.4793 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3800 -0.0973 -0.1975 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5404 -0.9227 -0.8843 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8840 -0.7891 -0.6804 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4224 0.1355 0.1866 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5263 0.9343 0.8502 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1370 0.8254 0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9238 1.9082 1.5256 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.8309 -0.1946 -0.0917 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7496 0.4273 1.2387 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0759 -0.7378 -1.4673 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1131 -1.6566 -1.5725 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5709 -1.4469 -1.2307 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4861 0.2082 0.3193 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8890 1.6800 1.5450 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