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
2.6416 -0.7205 0.3655 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8752 0.2359 -0.0888 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4285 0.1374 -0.0591 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2117 -0.9566 0.4438 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6177 -0.9634 0.4311 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3671 0.0749 -0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7014 1.1698 -0.5647 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3236 1.1962 -0.5614 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5128 2.5852 -1.1997 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7112 -0.6045 0.3234 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2569 -1.6218 0.7812 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3628 1.1310 -0.5005 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3190 -1.8179 0.8515 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1036 -1.8506 0.8394 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4664 0.0283 -0.0522 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3165 1.9768 -0.9480 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