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
2.8143 0.3174 -0.3664 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8919 -0.5534 -0.0184 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4596 -0.2530 0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4443 -1.2495 0.4144 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7947 -1.0085 0.4733 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3252 0.2242 0.1581 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4433 1.2121 -0.2209 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0753 0.9738 -0.2822 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0589 0.5154 0.2391 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.5539 1.3256 -0.6409 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8700 0.0855 -0.3995 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2606 -1.5538 0.2433 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0101 -2.2228 0.6618 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4784 -1.7874 0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8226 2.2025 -0.4786 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6024 1.7718 -0.5850 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