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
2.7692 0.3648 0.3843 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8526 -0.1333 -0.3911 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4118 -0.0948 -0.1916 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3800 -1.1061 -0.7578 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7348 -1.1056 -0.6162 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4086 -0.1240 0.0836 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6519 0.8739 0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2579 0.8805 0.5023 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6302 2.2086 1.2110 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.8414 0.2576 0.0958 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5823 0.8705 1.3162 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2051 -0.6435 -1.3059 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1212 -1.8893 -1.3124 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3854 -1.8821 -1.0464 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4836 -0.1477 0.1814 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1116 1.6705 1.2027 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