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
2.6684 -0.8160 0.1083 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8687 0.1554 -0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4296 0.0988 -0.0892 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2458 -0.9519 0.4662 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6396 -0.8989 0.5826 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3842 0.1749 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7005 1.2332 -0.3997 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3351 1.1899 -0.5177 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5393 2.5549 -1.2389 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.2169 -1.6875 0.5578 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7519 -0.7586 -0.0279 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3343 1.0199 -0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2947 -1.8242 0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1137 -1.7744 1.0364 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4620 0.1726 0.2701 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2229 2.1117 -0.7542 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