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
2.7815 0.2595 -0.1242 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7796 -0.4897 -0.4705 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3761 -0.2023 -0.2647 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4687 -1.3194 -0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8025 -1.0921 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3816 0.1571 0.1068 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5415 1.2254 -0.0755 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1619 1.0638 -0.2629 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8347 2.4639 -0.5266 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6430 1.2014 0.3707 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8076 -0.0996 -0.3543 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0144 -1.4459 -0.9794 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0115 -2.2958 -0.0876 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4707 -1.9463 0.2417 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4659 0.2840 0.2541 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9324 2.2360 -0.0787 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