Monomers
3-Nitrostyrene
Identifiers
IUPAC name
1-ethenyl-3-nitrobenzene
InchI
InChI=1S/C8H7NO2/c1-2-7-4-3-5-8(6-7)9(10)11/h2-6H,1H2
InchI Key
SYZVQXIUVGKCBJ-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)[N+](=O)[O-]
Canonical SMILES
C=CC1=CC(=CC=C1)[N+](=O)[O-]
Isomeric SMILES
C=CC1=CC(=CC=C1)[N+](=O)[O-]
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H7NO2
Heavy Atom Count
11
Molecular Weight
149.149
Exact Molecular Weight
149.0477
Valence Electrons
56
Radical Electrons
0
tPSA
43.14
MolLogP
2.2378
H Bond Acceptors
2
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
18 18 0 0 0 0 0 0 0 0999 V2000
3.1744 -0.4097 -0.1666 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9946 -0.9144 0.1469 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7367 -0.2059 0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6983 1.0983 -0.4918 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5229 1.7296 -0.6091 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6875 1.0958 -0.2476 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6170 -0.1847 0.2356 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4220 -0.8482 0.3679 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8265 -0.8647 0.6193 N 0 0 0 0 0 4 0 0 0 0 0 0
-2.7645 -2.0193 1.0551 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0062 -0.2100 0.4888 O 0 0 0 0 0 1 0 0 0 0 0 0
4.0775 -0.9862 -0.0379 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2912 0.5839 -0.5591 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9542 -1.9304 0.5401 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5936 1.6333 -0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5667 2.7223 -0.9849 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6664 1.5734 -0.3308 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4406 -1.8630 0.7584 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
9 10 2 0
9 11 1 0
8 3 1 0
1 12 1 0
1 13 1 0
2 14 1 0
4 15 1 0
5 16 1 0
6 17 1 0
8 18 1 0
M CHG 2 9 1 11 -1
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers