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
-3.1860 0.7349 0.2933 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3812 -0.0379 -0.4012 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9409 -0.0497 -0.1953 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3064 0.7400 0.7355 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0809 0.6600 0.8613 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8458 -0.1827 0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1815 -0.9586 -0.8338 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1794 -0.9145 -0.9936 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2541 -0.2905 0.1866 N 0 0 0 0 0 4 0 0 0 0 0 0
3.8796 -1.0750 -0.5476 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9554 0.4665 1.0930 O 0 0 0 0 0 1 0 0 0 0 0 0
-2.8480 1.4135 1.0618 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2700 0.6967 0.0886 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8074 -0.6879 -1.1527 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8854 1.4117 1.3575 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5650 1.2868 1.5971 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7150 -1.6600 -1.4940 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6727 -1.5534 -1.7435 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