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
2.7266 0.5513 -0.0959 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8871 -0.4600 -0.0689 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4545 -0.2601 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3705 -1.3896 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7393 -1.2569 0.0584 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3273 -0.0139 0.0832 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5440 1.1098 0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1534 0.9561 0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2095 2.7293 0.0874 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.8069 0.4203 -0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4269 1.5938 -0.0821 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3175 -1.4535 -0.0873 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0601 -2.3817 -0.0094 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3660 -2.1202 0.0782 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4072 0.1248 0.1223 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4377 1.8505 -0.0100 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