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
2.8117 0.0438 0.4559 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8320 -0.7382 0.0793 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4536 -0.2844 -0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5363 -1.1874 -0.4217 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8628 -0.8308 -0.5297 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2753 0.4502 -0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3142 1.3512 0.1764 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0355 0.9900 0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9651 0.9087 -0.3673 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.8375 -0.3356 0.5099 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6009 1.0651 0.7127 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0837 -1.7798 -0.1768 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2034 -2.1870 -0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5953 -1.5579 -0.8516 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6485 2.3563 0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7460 1.7359 0.6105 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