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
2.7389 -0.6082 0.0824 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8547 0.2988 0.3367 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4214 0.1544 0.1107 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1643 -0.9791 -0.4066 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5414 -1.0838 -0.6103 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3779 -0.0351 -0.2942 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8118 1.1084 0.2247 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4491 1.1957 0.4199 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2579 2.6715 1.0868 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.4448 -1.5553 -0.3266 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7792 -0.4419 0.2708 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2060 1.2558 0.7565 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4940 -1.8125 -0.6585 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9469 -2.0000 -1.0203 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4542 -0.1162 -0.4531 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4512 1.9474 0.4811 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