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
2.7082 0.5025 -0.5455 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8775 0.0017 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4281 -0.0493 0.1736 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2696 -1.1157 0.7883 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6359 -1.2110 0.7137 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3984 -0.2839 0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7258 0.7522 -0.5535 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3258 0.8711 -0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4333 2.2526 -1.2466 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.3842 0.9321 -1.4607 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7750 0.5064 -0.3699 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3428 -0.4205 1.2329 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3235 -1.8406 1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1543 -2.0415 1.1948 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4839 -0.3741 -0.0073 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2788 1.5180 -1.0994 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