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
2.4440 -1.3142 -0.1695 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9045 -0.1321 -0.1576 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4658 0.0558 -0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4309 -0.9719 0.0645 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8071 -0.7336 0.1743 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3113 0.5446 0.1803 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4218 1.5897 0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0700 1.3508 -0.0329 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0624 2.6795 -0.1670 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.8676 -2.2063 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5111 -1.4036 -0.2573 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5698 0.7468 -0.2392 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0840 -2.0037 0.0647 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5117 -1.5473 0.2574 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3885 0.7429 0.2659 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8001 2.6030 0.0778 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