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
-2.6057 -0.9495 0.4371 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9528 0.0053 -0.1555 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4941 0.0853 -0.0959 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2977 -0.8095 0.5686 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6798 -0.7146 0.6122 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3166 0.3149 -0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5281 1.2215 -0.7042 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1651 1.1329 -0.7506 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3611 2.5480 -1.5332 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.6974 -0.9987 0.3853 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1178 -1.7125 0.9892 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5151 0.7548 -0.7043 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1632 -1.6575 1.1042 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2456 -1.4416 1.1462 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4025 0.3803 0.0085 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4503 1.8408 -1.2755 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