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
-3.2530 0.3332 0.3024 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3633 -0.5922 0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9418 -0.2836 0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0470 -1.3394 -0.2224 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3033 -1.1420 -0.3053 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8392 0.1161 -0.1574 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9531 1.1414 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4091 0.9635 0.1608 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2318 0.3695 -0.2352 N 0 0 0 0 0 4 0 0 0 0 0 0
4.0197 -0.5710 -0.4454 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7730 1.6189 -0.0891 O 0 0 0 0 0 1 0 0 0 0 0 0
-2.9704 1.3561 0.4355 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2929 0.0718 0.3494 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6862 -1.6326 -0.0462 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4319 -2.3540 -0.3457 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9707 -1.9976 -0.4923 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3544 2.1421 0.1937 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0495 1.8000 0.3426 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