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
0.5315 1.8055 -2.1279 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0369 1.7574 -0.9108 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0459 0.5240 -0.1343 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5829 0.5365 1.1569 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6636 -0.6218 1.8932 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2320 -1.8427 1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2987 -1.8649 0.1507 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3855 -0.6930 -0.6069 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3543 -3.2930 2.3955 Cl 0 0 0 0 0 0 0 0 0 0 0 0
0.5788 2.7429 -2.6806 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9176 0.9537 -2.6623 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3263 2.6744 -0.4622 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9164 1.4904 1.5161 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0790 -0.6072 2.8898 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6421 -2.8131 -0.2351 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8093 -0.7491 -1.6042 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