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
2.8025 0.2109 0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6937 0.8133 -0.0543 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3408 0.2904 -0.0451 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7330 1.1954 0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0249 0.7570 0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3364 -0.5830 -0.0507 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3190 -1.4936 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0032 -1.0289 -0.1363 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2646 -2.2554 -0.2921 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.9213 -0.8039 0.5853 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7652 0.7549 0.1955 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8172 1.8704 -0.3698 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4732 2.2554 0.1183 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8403 1.4769 0.1128 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3766 -0.9058 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5050 -2.5539 -0.2154 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