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
-2.7675 -0.0193 0.4405 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8032 0.4366 -0.3322 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3924 0.1520 -0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0954 -0.6346 0.8607 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4606 -0.8963 1.0173 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3206 -0.3348 0.1144 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8921 0.4614 -0.9192 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5487 0.6853 -1.0269 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0284 1.6971 -2.3354 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.5524 -0.6567 1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7992 0.2362 0.2425 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0981 1.0762 -1.1698 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6030 -1.0737 1.5707 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7741 -1.5201 1.8305 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3825 -0.5179 0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5700 0.9086 -1.6372 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