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
2.8027 0.3702 0.2795 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8701 -0.5009 0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4514 -0.1962 -0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0638 1.0541 0.2411 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 1.2676 0.1967 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3118 0.2531 -0.1004 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8232 -1.0061 -0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4658 -1.2103 -0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9551 -2.2845 -0.7358 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.8423 0.0737 0.2821 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5882 1.3947 0.5035 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1618 -1.5417 -0.2103 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6354 1.8616 0.4773 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7886 2.2645 0.4041 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3993 0.4231 -0.1358 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1154 -2.2229 -0.5257 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