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
-3.0350 -0.7792 0.8991 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2963 -0.7696 -0.1875 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9188 -0.3244 -0.1544 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1596 -0.3278 -1.3346 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1528 0.0868 -1.3491 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7331 0.5161 -0.1702 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0090 0.5285 0.9992 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3128 0.1056 0.9881 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 0.9431 -0.1898 N 0 0 0 0 0 4 0 0 0 0 0 0
3.7123 0.9233 -1.2427 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6654 1.3674 0.9693 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.0752 -1.1338 0.7853 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6598 -0.4656 1.8351 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7352 -1.1102 -1.1563 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5864 -0.6585 -2.2732 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7463 0.0862 -2.2614 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5040 0.8699 1.8847 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8315 0.1421 1.9585 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