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
-2.5312 1.0375 0.5912 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9610 0.1639 -0.1825 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5256 -0.0503 -0.1432 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0620 -1.0036 -0.9935 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4069 -1.2689 -1.0214 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2534 -0.5811 -0.1834 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7182 0.3518 0.6557 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3518 0.6148 0.6774 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7693 1.2569 1.7473 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.9538 1.6187 1.2748 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5989 1.2128 0.5779 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5481 -0.4147 -0.8653 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6001 -1.5437 -1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8429 -2.0054 -1.6814 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3290 -0.7630 -0.1754 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0147 1.3742 1.3727 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