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
2.6813 0.8408 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8974 -0.2027 -0.2298 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4556 -0.2138 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2396 -1.4212 -0.2671 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6055 -1.4138 -0.1301 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2990 -0.2708 0.1727 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6335 0.9184 0.3501 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2402 0.9341 0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4456 2.4189 0.7379 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7582 0.7934 -0.2106 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2713 1.8053 0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4124 -1.1446 -0.4736 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2728 -2.3428 -0.5067 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2075 -2.3282 -0.2575 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3805 -0.2388 0.2866 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3025 1.8657 0.3519 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