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
2.7066 0.2393 0.5328 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8676 -0.4884 -0.1664 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4492 -0.2415 -0.1414 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3994 -1.0462 -0.9046 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7496 -0.8259 -0.8928 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3333 0.1763 -0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4930 0.9577 0.5965 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1266 0.7614 0.6064 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1864 2.2561 1.5710 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7931 0.0272 0.4948 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4502 1.0656 1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2532 -1.2965 -0.7787 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0449 -1.8536 -1.5089 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3549 -1.4823 -1.5045 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4184 0.3248 -0.1605 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4968 1.4261 1.2271 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