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
-2.8357 -0.0657 0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7493 -0.6392 -0.2743 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3826 -0.2209 -0.1179 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6260 -1.1842 -0.2833 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9582 -0.8885 -0.1688 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3722 0.3933 0.1195 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4036 1.3590 0.2865 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0635 1.0449 0.1673 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0798 2.3426 0.3672 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.8341 -0.5078 -0.0419 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8929 0.8287 0.7276 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9026 -1.5793 -0.8491 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3464 -2.2145 -0.5124 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7402 -1.6528 -0.3007 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4308 0.6105 0.2075 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7361 2.3740 0.5149 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