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
2.7660 -0.4745 0.1689 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8899 0.4730 -0.0447 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4686 0.2013 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0833 -1.0378 0.2062 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4721 -1.2332 0.2085 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3158 -0.1709 -0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7967 1.0947 -0.2677 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4459 1.2303 -0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8827 2.4369 -0.5662 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.4987 -1.4966 0.3671 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8436 -0.2917 0.1608 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2293 1.4777 -0.2375 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5692 -1.8978 0.3963 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8518 -2.2191 0.3965 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3920 -0.3022 -0.0295 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0250 2.2098 -0.4445 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