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
2.7592 0.4319 0.2078 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8412 -0.5064 0.2591 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4209 -0.2891 0.1324 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4574 -1.3466 0.2011 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8182 -1.1568 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3229 0.1089 -0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4659 1.1667 -0.1801 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0970 0.9647 -0.0589 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0428 2.7875 -0.4208 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.5292 1.4745 0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8169 0.2127 0.3093 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2111 -1.5333 0.4119 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0689 -2.3539 0.3528 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4732 -1.9918 0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3956 0.2151 -0.1983 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5636 1.8158 -0.1175 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