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
-2.5836 -0.9743 0.0554 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8283 -0.0420 0.5451 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4255 0.0783 0.1956 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2174 -0.7769 -0.6759 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5630 -0.6570 -1.0075 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3064 0.3499 -0.4556 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6803 1.2135 0.4171 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3654 1.0924 0.7382 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4393 2.1981 1.8565 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.2475 -1.7113 -0.6266 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6472 -1.0495 0.3329 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2495 0.6684 1.2332 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3432 -1.6008 -1.1426 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0448 -1.3412 -1.6945 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3526 0.5126 -0.6591 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2341 2.0398 0.8878 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