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
2.0942 -1.1732 1.3971 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7928 -0.1967 0.5903 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4417 0.0221 0.0926 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6198 -0.7780 0.4306 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8870 -0.5194 -0.0763 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0748 0.5515 -0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0297 1.3836 -1.2922 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2011 1.0988 -0.7746 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5497 2.1172 -1.2056 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.3413 -1.8624 1.7280 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1159 -1.3306 1.7675 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6021 0.4743 0.2869 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5061 -1.6234 1.0929 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7412 -1.1344 0.1742 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0686 0.7443 -1.3161 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2115 2.2262 -1.9692 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