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
2.7614 -0.3937 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8551 0.5584 -0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4355 0.2445 0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0197 -1.0516 -0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3944 -1.3102 -0.0375 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3044 -0.2854 0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8075 1.0030 0.0717 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4682 1.2969 0.0648 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9878 2.3229 0.1481 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.8352 -0.1778 -0.0654 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5435 -1.4480 -0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2231 1.5816 0.0377 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6176 -1.9017 -0.0938 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7771 -2.3291 -0.0772 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3901 -0.4457 0.0307 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1222 2.3356 0.1059 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