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
-2.9106 -1.1559 -0.7899 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2926 -0.0318 -0.7201 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9173 0.0969 -0.3004 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2930 1.3450 -0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9962 1.4500 0.1528 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7118 0.3385 0.5026 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1302 -0.8887 0.4558 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2030 -1.0220 0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0625 0.4767 0.9136 N 0 0 0 0 0 4 0 0 0 0 0 0
3.5658 1.6122 0.9459 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7611 -0.6450 1.2591 O 0 0 0 0 0 1 0 0 0 0 0 0
-2.4655 -2.0874 -0.5456 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9482 -1.1923 -1.1134 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8147 0.9020 -0.9891 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8821 2.1840 -0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4748 2.4357 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6583 -1.7934 0.7234 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6337 -2.0245 0.0256 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