Monomers
3-Chlorostyrene
Identifiers
IUPAC name
1-chloro-3-ethenylbenzene
InchI
InChI=1S/C8H7Cl/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2
InchI Key
BOVQCIDBZXNFEJ-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)Cl
Canonical SMILES
C=CC1=CC(=CC=C1)Cl
Isomeric SMILES
C=CC1=CC(=CC=C1)Cl
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
2.6450 0.5085 -0.8313 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8803 -0.4136 -0.3326 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4607 -0.2500 -0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2767 -1.2999 0.5027 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6188 -1.1928 0.8028 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2804 -0.0167 0.5762 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5753 1.0428 0.0464 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2101 0.9272 -0.2566 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3743 2.5769 -0.2652 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.2521 1.4831 -1.0578 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6883 0.3449 -1.0379 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3630 -1.3904 -0.1279 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2525 -2.2364 0.6826 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1918 -2.0111 1.2191 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3240 0.1541 0.7803 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3097 1.7733 -0.6689 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
7 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
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers