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
-2.7058 0.4477 0.1875 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8189 -0.2691 -0.4033 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3955 -0.1319 -0.1677 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3981 -1.2852 -0.3305 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7471 -1.2884 -0.1624 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3595 -0.0786 0.1893 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6118 1.0622 0.3544 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2341 1.0235 0.1725 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6409 2.5140 0.3563 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.7791 0.2950 -0.0386 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5297 1.1986 0.9218 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1697 -1.0309 -1.1307 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1381 -2.2068 -0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3435 -2.1916 -0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4193 -0.0520 0.3285 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0643 1.9936 0.6228 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