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
2.7500 -0.4783 0.2166 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8642 0.3280 -0.2802 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4123 0.1725 -0.1274 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1513 -0.8717 0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5259 -1.0242 0.7241 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3898 -0.1126 0.1576 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8280 0.9327 -0.5465 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4706 1.0805 -0.6909 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2269 2.4283 -1.5978 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.4998 -1.3542 0.7989 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8070 -0.2761 0.0471 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1994 1.1906 -0.8568 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5176 -1.6056 1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9625 -1.8440 1.2762 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4651 -0.2206 0.2661 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4840 1.6546 -0.9960 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