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
2.7349 -0.6237 -0.1898 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9100 0.2355 0.3466 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4615 0.1829 0.1737 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3562 1.1381 0.7794 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7282 1.1128 0.6331 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3606 0.1433 -0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5551 -0.8013 -0.7174 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1713 -0.7819 -0.5743 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3324 -2.0367 -1.6722 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.4308 -1.4443 -0.8042 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8188 -0.5521 -0.0375 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3379 1.0424 0.9627 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1458 1.8986 1.3693 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3277 1.8786 1.1239 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4374 0.1516 -0.2129 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4290 -1.5436 -1.0621 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