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
2.7220 -0.6412 0.1201 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8646 0.3455 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4239 0.1916 0.0688 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1685 -1.0292 -0.1909 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5405 -1.1398 -0.3259 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3870 -0.0568 -0.2116 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8055 1.1635 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4380 1.2770 0.1822 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3079 2.8350 0.5128 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7931 -0.4730 0.2395 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4494 -1.6529 -0.0767 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2371 1.3394 0.4191 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4624 -1.9082 -0.2884 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0048 -2.1138 -0.5324 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4727 -0.1685 -0.3226 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4434 2.0315 0.1421 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