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
2.7444 0.5150 0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8803 -0.3951 -0.2037 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4572 -0.2342 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3856 -1.2702 -0.5395 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7505 -1.1644 -0.4694 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3216 -0.0208 0.0329 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5127 0.9960 0.4557 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1153 0.9124 0.3946 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2363 2.4598 1.0986 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.3932 1.4385 0.5753 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8082 0.3821 0.0957 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2673 -1.3480 -0.6203 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0864 -2.1703 -0.9352 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3879 -1.9737 -0.8061 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4080 0.1136 0.1102 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4811 1.7593 0.7483 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