Monomers
2-Chlorostyrene
Identifiers
IUPAC name
1-chloro-2-ethenylbenzene
InchI
InChI=1S/C8H7Cl/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2
InchI Key
ISRGONDNXBCDBM-UHFFFAOYSA-N
SMILES
C=Cc1ccccc1Cl
Canonical SMILES
C=CC1=CC=CC=C1Cl
Isomeric SMILES
C=CC1=CC=CC=C1Cl
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
2.7442 0.3737 -0.5832 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8277 -0.2034 0.1409 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4001 -0.1318 0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3671 -1.2022 0.5271 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7415 -1.1679 0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3587 -0.0657 -0.0851 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6601 1.0067 -0.5787 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2609 0.9293 -0.4955 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5881 2.3264 -1.1008 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.8104 0.2058 -0.3567 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5460 1.0025 -1.4127 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2016 -0.8557 0.9831 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1690 -2.0369 0.9454 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3006 -2.0177 0.8575 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4430 -0.0427 -0.1316 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1554 1.8795 -1.0154 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
8 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
7 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers