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
-2.6977 -0.1859 0.4153 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6936 -0.8311 -0.0935 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3484 -0.2893 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6895 -1.2265 0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9790 -0.7730 0.0221 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2867 0.5690 -0.0876 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2807 1.4930 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0468 1.0361 -0.1897 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2906 2.2506 -0.3757 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.6529 0.7654 0.8795 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6892 -0.6440 0.3736 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8800 -1.8235 -0.5488 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4415 -2.2832 0.1151 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7888 -1.4858 0.1054 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3326 0.8858 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5004 2.5424 -0.2814 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