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
2.2607 -1.2045 1.0538 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2809 -1.4014 0.2305 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2634 -0.4191 -0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0521 -0.8593 -0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0652 0.0156 -0.5645 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8417 1.3702 -0.5845 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5752 1.8432 -0.3254 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4496 0.9382 -0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0278 1.6364 0.2175 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.0222 -1.9831 1.2152 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3094 -0.2763 1.5978 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2222 -2.3573 -0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1979 -1.9318 -0.2692 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0491 -0.3542 -0.7662 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6454 2.0738 -0.8007 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4097 2.9095 -0.3435 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