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
3.2777 -0.2578 0.0711 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3206 0.3178 0.7299 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9196 0.1732 0.3534 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4966 -0.5755 -0.7177 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8558 -0.6815 -1.0354 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8374 -0.0496 -0.3035 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4183 0.7076 0.7787 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0836 0.8119 1.0918 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2132 -0.1717 -0.6461 N 0 0 0 0 0 4 0 0 0 0 0 0
-3.5110 -0.8688 -1.6311 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2123 0.4436 0.0611 O 0 0 0 0 0 1 0 0 0 0 0 0
3.1323 -0.8815 -0.7947 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3325 -0.1432 0.3623 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5979 0.9331 1.6011 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2168 -1.0976 -1.3341 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1834 -1.2761 -1.8851 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1940 1.2014 1.3496 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2149 1.4147 1.9488 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