Monomers
4-Chlorostyrene
Identifiers
IUPAC name
1-chloro-4-ethenylbenzene
InchI
InChI=1S/C8H7Cl/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2
InchI Key
KTZVZZJJVJQZHV-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)Cl
Canonical SMILES
C=CC1=CC=C(C=C1)Cl
Isomeric SMILES
C=CC1=CC=C(C=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
-2.8018 -0.2329 -0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8666 0.4330 0.4603 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4591 0.1946 0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5136 0.9553 0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8493 0.7556 0.6494 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3075 -0.1803 -0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3556 -0.9198 -0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0008 -0.7407 -0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0144 -0.4498 -0.5405 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.5996 -0.9954 -0.8511 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8437 -0.0377 0.0803 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1693 1.2022 1.1875 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1494 1.6956 1.5777 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6132 1.3453 1.1766 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6676 -1.6729 -1.6111 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7298 -1.3522 -1.2396 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
6 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
7 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers