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
-2.7702 0.4191 0.1352 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8325 -0.2839 -0.4041 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4033 -0.1618 -0.1671 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4171 -1.2915 -0.3803 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7615 -1.2043 -0.1868 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3816 -0.0328 0.2191 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6110 1.0827 0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2387 0.9858 0.2338 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6681 2.4654 0.4923 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.6500 1.2043 0.8448 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8253 0.2188 -0.1398 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1187 -1.0699 -1.1321 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0899 -2.2062 -0.6996 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3902 -2.0928 -0.3565 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4638 -0.0263 0.3574 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0941 1.9936 0.7497 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