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
3.1827 0.0105 -0.1883 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0970 -0.7084 -0.1473 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7835 -0.1053 -0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5772 1.2529 0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7044 1.7694 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7856 0.9220 0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5969 -0.4411 0.0804 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3358 -0.9532 -0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7571 -1.2899 0.1218 N 0 0 0 0 0 4 0 0 0 0 0 0
-3.9014 -0.8067 0.2052 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6579 -2.6560 0.0717 O 0 0 0 0 0 1 0 0 0 0 0 0
4.1610 -0.4869 -0.2624 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1190 1.0828 -0.1498 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1695 -1.7838 -0.1864 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4175 1.9673 -0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8165 2.8620 0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7707 1.3814 0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1811 -2.0170 -0.0545 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