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
2.6754 -0.5472 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8184 0.3872 0.1257 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3866 0.1990 0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1293 -1.0210 -0.3031 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5260 -1.1593 -0.3525 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3728 -0.1165 -0.0488 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7987 1.0840 0.3102 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4392 1.2717 0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2931 2.7877 0.8273 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7504 -0.3395 -0.0779 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4426 -1.5486 -0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2126 1.3621 0.4169 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5025 -1.8584 -0.5473 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9186 -2.1376 -0.6447 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4473 -0.2756 -0.1024 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4496 1.9121 0.5515 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