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
-2.1483 -1.7682 0.0805 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7992 -0.6039 0.5224 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4933 -0.0465 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1637 1.2187 0.7083 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0479 1.7788 0.4361 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0091 1.1558 -0.3336 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7050 -0.0863 -0.8368 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4619 -0.6651 -0.5596 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8981 -0.9080 -1.8173 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.4932 -2.3494 -0.5254 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1161 -2.1729 0.3201 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4999 -0.0521 1.1343 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9233 1.7212 1.3219 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2880 2.7668 0.8372 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9545 1.6547 -0.5139 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2724 -1.6435 -0.9792 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