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
-2.6958 0.4184 -0.6299 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8740 -0.0849 0.2721 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4220 -0.0640 0.1462 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2338 0.4856 -0.9314 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6316 0.4914 -1.0257 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3800 -0.0689 -0.0116 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7196 -0.6233 1.0753 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3433 -0.6269 1.1642 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4397 -1.3485 2.5743 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.7726 0.3963 -0.5241 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3046 0.8723 -1.5111 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3565 -0.5357 1.1528 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3046 0.9271 -1.7337 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1386 0.9194 -1.8648 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4592 -0.0799 -0.0553 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2637 -1.0782 1.9026 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