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
2.7216 0.2917 0.4623 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8612 -0.0869 -0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4340 -0.0577 -0.2122 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3659 -1.0659 -0.7976 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7277 -1.0888 -0.6524 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4030 -0.1372 0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6479 0.8520 0.6457 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2502 0.8860 0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6407 2.2131 1.2314 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.4108 0.6424 1.4109 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8062 0.2686 0.2853 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2576 -0.4457 -1.4042 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1534 -1.8164 -1.3648 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3246 -1.8845 -1.1185 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4632 -0.2005 0.1518 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1029 1.6298 1.2236 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