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
-3.1849 0.4373 -0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3967 -0.2581 0.2035 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9637 -0.1406 0.1217 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3038 0.6816 -0.7468 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1027 0.7617 -0.7891 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8278 -0.0202 0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1644 -0.8537 0.9603 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2019 -0.9209 0.9899 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2465 0.0120 0.0897 N 0 0 0 0 0 4 0 0 0 0 0 0
3.9333 -0.6811 0.8612 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8899 0.8415 -0.7873 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.2549 0.3213 -0.4824 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8025 1.1143 -1.2945 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8278 -0.9622 0.9518 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8846 1.2914 -1.4249 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5697 1.4275 -1.4945 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7797 -1.4541 1.6292 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6932 -1.5976 1.7063 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