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
2.7333 0.4883 0.4131 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8619 -0.2780 -0.1693 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4290 -0.1487 -0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3550 -1.2893 -0.4296 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7105 -1.2560 -0.4672 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4012 -0.0939 -0.2528 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6882 1.0460 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2858 1.0088 0.0404 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5548 2.5147 0.3401 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.8214 0.2840 0.3396 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5253 1.3514 1.0137 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2808 -1.1295 -0.7359 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1949 -2.1988 -0.5959 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2681 -2.1691 -0.6717 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4784 -0.1077 -0.2903 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2140 1.9778 0.1753 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