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
-2.6975 0.6387 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9162 -0.4086 -0.1173 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4797 -0.2412 -0.0464 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3328 -1.3831 -0.1571 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7035 -1.2847 -0.0968 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3128 -0.0568 0.0745 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5556 1.0813 0.1867 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1811 0.9444 0.1216 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3240 2.6391 0.4039 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3004 1.6307 0.1179 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7978 0.5264 -0.0694 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3768 -1.3790 -0.2518 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1683 -2.3419 -0.2917 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2956 -2.1908 -0.1865 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4077 -0.0359 0.1156 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3767 1.8616 0.2138 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