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
-1.8041 -1.9998 0.8844 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4667 -1.1770 -0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3679 -0.2417 -0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0614 0.2388 -1.3448 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0855 1.1394 -1.4892 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7532 1.6232 -0.3892 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3622 1.1781 0.8402 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3149 0.2580 0.9824 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1491 -0.2452 2.5936 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.6898 -2.6365 0.7211 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3318 -2.1742 1.8274 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1255 -1.1885 -0.9558 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4621 -0.1410 -2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3890 1.4879 -2.4737 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5593 2.3345 -0.5385 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8715 1.5441 1.7129 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