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
-2.7897 -0.0063 0.1627 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7188 -0.6773 -0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3536 -0.2418 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6255 -1.2415 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9528 -0.9158 0.0626 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3513 0.4063 0.0551 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4015 1.3977 -0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0415 1.0403 -0.0828 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1108 2.3668 -0.2095 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.7805 -0.4934 0.0356 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8754 0.9756 0.5593 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9378 -1.7107 -0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3211 -2.2913 0.0056 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7401 -1.6745 0.1211 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4248 0.6276 0.1079 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7079 2.4382 -0.0239 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