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
2.6106 -0.9687 -0.2026 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8811 0.1176 -0.1124 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4282 0.1393 -0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3157 -1.0366 -0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7093 -0.9701 0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3813 0.2286 0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6434 1.3875 0.1592 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2575 1.3316 0.0706 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6964 2.8206 0.0721 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.6826 -0.8843 -0.2659 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1959 -1.9599 -0.2175 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3923 1.0844 -0.1044 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1930 -1.9749 -0.0927 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2269 -1.9286 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4589 0.2516 0.2258 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0869 2.3618 0.2267 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