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
-2.7491 -0.3447 0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8297 0.5636 0.1543 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4238 0.2147 0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0521 -1.0519 -0.1806 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4048 -1.3204 -0.2696 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3527 -0.3307 -0.1317 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8708 0.9410 0.0998 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5350 1.2243 0.1908 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0182 2.8936 0.4910 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.5196 -1.3651 -0.1501 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7863 -0.0490 0.1137 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0662 1.6232 0.3414 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6574 -1.8841 -0.2993 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7468 -2.3419 -0.4541 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4181 -0.5031 -0.1952 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6334 1.7304 0.2095 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