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
2.7779 -0.2440 0.2092 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7894 0.6244 0.2591 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3960 0.2433 0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0099 -1.0472 -0.1677 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3639 -1.3667 -0.3394 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3368 -0.3958 -0.2716 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9425 0.9030 -0.0296 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6114 1.2009 0.1367 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1001 2.8635 0.4471 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6161 -1.2901 0.0282 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8026 0.0636 0.3496 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0278 1.6641 0.4459 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7154 -1.8459 -0.2302 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6475 -2.3973 -0.5289 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3980 -0.6391 -0.4051 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7150 1.6634 0.0226 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