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
-2.3437 1.0108 1.2364 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9315 0.2546 0.2527 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5252 -0.0211 -0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1617 -0.8281 -1.0634 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1522 -1.1228 -1.3563 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1573 -0.5962 -0.5701 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8287 0.2137 0.4923 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4957 0.4889 0.7576 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1173 0.8757 1.4827 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.3939 1.1760 1.3761 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6568 1.4757 1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7016 -0.1866 -0.4006 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9225 -1.2548 -1.6963 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3964 -1.7633 -2.1978 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1923 -0.8425 -0.8199 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2970 1.1200 1.5899 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