Monomers
3-Chlorostyrene
Identifiers
IUPAC name
1-chloro-3-ethenylbenzene
InchI
InChI=1S/C8H7Cl/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2
InchI Key
BOVQCIDBZXNFEJ-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)Cl
Canonical SMILES
C=CC1=CC(=CC=C1)Cl
Isomeric SMILES
C=CC1=CC(=CC=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
2.5838 0.9756 -0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9081 -0.1446 -0.3121 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4694 -0.1681 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1493 -1.4105 0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5169 -1.5014 0.2818 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2951 -0.3656 0.3866 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6739 0.8531 0.2586 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3085 0.9576 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6278 2.3080 0.3858 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.6480 0.9541 -0.6223 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1475 1.9582 -0.3955 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4798 -1.0686 -0.3872 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4734 -2.2910 -0.0304 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9651 -2.4955 0.3766 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3522 -0.4846 0.5637 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1787 1.9234 -0.0697 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
7 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
6 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers