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
2.6036 1.0510 0.4529 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9576 0.1470 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5198 -0.0497 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1033 -1.0338 -0.9257 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4634 -1.2451 -0.8533 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2829 -0.5108 -0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6815 0.4600 0.7494 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2973 0.6776 0.6781 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0115 -0.7910 0.0600 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.6762 1.2035 0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1043 1.7049 1.1487 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5356 -0.4799 -0.9343 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5468 -1.6212 -1.5901 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9343 -2.0145 -1.4653 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3049 1.0464 1.4076 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1353 1.4556 1.3053 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