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
-2.7473 -0.1752 0.3783 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7425 -0.7332 -0.2163 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3847 -0.2488 -0.1208 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6529 -1.1737 -0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9739 -0.8280 -0.2187 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3506 0.4795 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3671 1.4196 0.1349 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0176 1.0460 0.0798 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1913 2.3063 0.2359 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.7427 0.6936 1.0103 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7786 -0.5925 0.2674 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9502 -1.6195 -0.8208 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3563 -2.2052 -0.4297 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7664 -1.5843 -0.3397 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4088 0.7634 0.0272 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6437 2.4520 0.2959 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