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
-2.7760 -1.0647 -0.2462 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2772 0.1350 -0.1242 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8579 0.3544 -0.0234 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3438 1.6557 0.1071 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9842 1.9297 0.2067 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8633 0.8666 0.1769 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4197 -0.4193 0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0531 -0.6809 -0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3537 -1.4762 0.0255 N 0 0 0 0 0 4 0 0 0 0 0 0
3.5646 -1.2351 0.1157 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9185 -2.7681 -0.0997 O 0 0 0 0 0 1 0 0 0 0 0 0
-2.1506 -1.9290 -0.2759 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8472 -1.1897 -0.3191 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9294 1.0136 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0520 2.4876 0.1293 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3429 2.9459 0.3062 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9407 1.0781 0.2569 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2066 -1.7037 -0.1433 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