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
3.2794 0.3758 -0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3571 -0.4200 0.4705 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9254 -0.2436 0.2393 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4176 0.7993 -0.5214 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9332 0.9438 -0.7245 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8431 0.0645 -0.1851 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3759 -0.9770 0.5715 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0193 -1.1052 0.7636 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2598 0.2408 -0.4152 N 0 0 0 0 0 4 0 0 0 0 0 0
-3.6264 1.1992 -1.1066 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2033 -0.6062 0.0992 O 0 0 0 0 0 1 0 0 0 0 0 0
4.3208 0.1418 0.2311 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1047 1.2282 -0.6139 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6258 -1.2905 1.0939 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1445 1.4997 -0.9508 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2493 1.7828 -1.3293 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0493 -1.6973 1.0187 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3843 -1.9360 1.3695 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