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
-3.2771 0.0132 0.3623 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2908 -0.7873 0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8969 -0.3870 0.0833 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0934 -1.3172 -0.2578 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4157 -0.9400 -0.2366 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8234 0.3252 0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8525 1.2208 0.4377 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4975 0.8807 0.4293 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2144 0.6930 0.1219 N 0 0 0 0 0 4 0 0 0 0 0 0
3.5794 1.8397 0.4347 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1522 -0.2504 -0.2195 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.2886 -0.3538 0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1315 1.0339 0.6525 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5376 -1.8188 -0.2263 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2328 -2.3212 -0.5311 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1551 -1.6778 -0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1044 2.2181 0.7141 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2376 1.6290 0.6998 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