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
2.8287 0.2549 0.0488 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8473 -0.6093 -0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4301 -0.2938 -0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5192 -1.2995 -0.1441 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8713 -1.0454 -0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3539 0.2401 0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4237 1.2490 0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0578 0.9864 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9862 2.8957 0.2975 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.8637 -0.0435 0.0243 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6156 1.3027 0.1603 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1190 -1.6556 -0.1628 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1568 -2.3322 -0.2528 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5801 -1.8679 -0.2209 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4256 0.4309 0.0207 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6702 1.7876 0.1979 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