Monomers
4-Nitrostyrene
Identifiers
IUPAC name
1-ethenyl-4-nitrobenzene
InchI
InChI=1S/C8H7NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6H,1H2
InchI Key
YFZHODLXYNDBSM-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)[N+](=O)[O-]
Canonical SMILES
C=CC1=CC=C(C=C1)[N+](=O)[O-]
Isomeric SMILES
C=CC1=CC=C(C=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
-3.2245 -0.4365 0.4506 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4072 0.3803 -0.1472 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9617 0.2189 -0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1345 1.1184 -0.7596 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2397 1.0084 -0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8534 -0.0191 -0.0742 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0362 -0.9261 0.5855 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3387 -0.8052 0.5673 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2648 -0.1669 -0.0393 N 0 0 0 0 0 4 0 0 0 0 0 0
3.7748 -1.1120 0.5840 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0559 0.7370 -0.6956 O 0 0 0 0 0 1 0 0 0 0 0 0
-2.9234 -1.2953 1.0246 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3042 -0.2893 0.4006 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8227 1.2230 -0.7047 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6163 1.9286 -1.2918 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8780 1.7183 -1.2651 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5424 -1.7357 1.1161 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9122 -1.5470 1.1023 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
6 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
7 17 1 0
8 18 1 0
M CHG 2 9 1 11 -1
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers