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
2.7018 0.6833 -0.2386 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9344 -0.3419 0.0559 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4660 -0.2480 0.0587 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3294 -1.3413 0.3723 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7034 -1.3015 0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3339 -0.1320 0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5691 0.9891 -0.2395 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1963 0.9216 -0.2476 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3457 2.5204 -0.6423 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7769 0.5170 -0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3847 1.6616 -0.4994 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3413 -1.3214 0.3153 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1977 -2.2679 0.6149 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2869 -2.1729 0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4100 0.0079 0.0637 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3718 1.8261 -0.5054 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