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
2.6904 -0.5067 0.3753 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8652 0.3667 -0.1337 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4198 0.1879 -0.0879 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1958 -0.9017 0.4876 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5653 -1.0866 0.5395 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3621 -0.1158 -0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7703 0.9833 -0.6036 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4099 1.1700 -0.6568 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3294 2.5746 -1.4006 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.3740 -1.4041 0.8561 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7804 -0.3494 0.3284 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2581 1.2714 -0.6156 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4152 -1.6871 0.9406 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9966 -1.9806 1.0144 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4335 -0.2713 0.0246 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3989 1.7495 -1.0466 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