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
-2.7899 0.1325 0.2085 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7613 -0.4556 -0.3342 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3692 -0.1802 -0.1466 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5277 -1.2569 -0.3227 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8749 -1.0607 -0.1768 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3765 0.1887 0.1435 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4888 1.2260 0.3107 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1013 1.0696 0.1703 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9564 2.4460 0.3654 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.8287 -0.1729 -0.0202 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7093 0.9259 0.9159 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9875 -1.2874 -1.0497 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1380 -2.2441 -0.5753 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5891 -1.8726 -0.3066 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4395 0.3401 0.2582 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8666 2.2013 0.5596 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