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
2.8180 0.1924 0.2833 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8587 -0.6199 -0.0593 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4557 -0.2411 -0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0106 1.0004 0.3291 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3603 1.3167 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3172 0.4029 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8613 -0.8419 -0.4229 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5271 -1.1678 -0.4261 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0998 -2.0142 -0.9061 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6181 1.1858 0.5952 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8556 -0.1191 0.2616 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1092 -1.6192 -0.3692 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 1.7554 0.6346 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6768 2.3029 0.6284 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3753 0.6262 -0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2013 -2.1593 -0.7276 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