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
2.6188 -0.8144 0.3173 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8291 -0.1671 -0.4757 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4239 0.0078 -0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1575 -0.5052 0.9428 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5200 -0.2951 1.1486 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2910 0.4080 0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7300 0.9296 -0.8894 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3907 0.7167 -1.0805 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3314 1.3829 -2.5389 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.6644 -0.9282 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2618 -1.2493 1.2217 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2291 0.2606 -1.3858 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3764 -1.0671 1.6946 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9499 -0.7192 2.0645 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3615 0.5682 0.4211 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3342 1.4718 -1.5774 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