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
-2.7837 -0.0734 0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7314 -0.8346 0.0476 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4000 -0.2641 0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1186 1.0707 0.1151 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1932 1.5355 0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2150 0.6349 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 -0.7145 -0.2181 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6575 -1.1693 -0.1656 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2378 -1.8604 -0.4286 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.7842 -0.5092 0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6846 0.9891 0.3011 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8558 -1.9183 -0.0508 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9259 1.7746 0.2457 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3628 2.6108 0.1562 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2360 0.9722 -0.1475 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4296 -2.2441 -0.2550 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