Monomers
3-Chlorostyrene
Identifiers
IUPAC name
1-chloro-3-ethenylbenzene
InchI
InChI=1S/C8H7Cl/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2
InchI Key
BOVQCIDBZXNFEJ-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)Cl
Canonical SMILES
C=CC1=CC(=CC=C1)Cl
Isomeric SMILES
C=CC1=CC(=CC=C1)Cl
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
2.8374 -0.1162 0.0876 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7718 -0.6180 -0.4858 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4135 -0.2100 -0.1785 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1088 0.7565 0.7575 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2196 1.1057 1.0086 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2473 0.4955 0.3304 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9601 -0.4732 -0.6091 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6521 -0.8126 -0.8519 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2802 -1.2390 -1.4623 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.7320 0.6446 0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8426 -0.4311 -0.1527 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9297 -1.3820 -1.2317 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8890 1.2484 1.3008 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4673 1.8623 1.7408 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2946 0.7472 0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4036 -1.5781 -1.5928 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
7 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
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers