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
-3.1529 0.9172 0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3923 -0.1010 -0.2698 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9633 -0.0930 -0.0848 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2274 -1.2332 -0.4457 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1382 -1.3147 -0.3043 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8104 -0.2310 0.2133 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1041 0.8741 0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2633 0.9656 0.4264 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2165 -0.2804 0.3726 N 0 0 0 0 0 4 0 0 0 0 0 0
3.8502 -1.3010 0.0464 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8802 0.7959 0.8862 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.2196 0.8911 -0.1069 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7200 1.8071 0.4491 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8893 -0.9865 -0.6861 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7280 -2.0981 -0.8542 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6852 -2.2244 -0.5974 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6309 1.7399 0.9762 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7596 1.8723 0.7247 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