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
2.7828 0.2390 0.1983 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7979 -0.3749 -0.4004 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3969 -0.1720 -0.1707 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4738 -1.2808 -0.3123 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8206 -1.1305 -0.1267 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3747 0.0843 0.1997 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5224 1.1497 0.3333 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1297 1.0490 0.1527 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8508 2.4623 0.3052 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.5908 0.9725 0.9423 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8132 -0.0342 -0.0988 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0336 -1.1376 -1.1752 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0448 -2.2308 -0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5237 -1.9540 -0.2255 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4475 0.2318 0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9289 2.1262 0.5912 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