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
3.2973 -0.1641 -0.0275 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3206 0.5034 -0.5854 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9177 0.2660 -0.2928 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5024 -0.6910 0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8466 -0.8877 0.8566 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8433 -0.1584 0.2442 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4275 0.8115 -0.6644 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0876 1.0066 -0.9152 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2134 -0.3821 0.5226 N 0 0 0 0 0 4 0 0 0 0 0 0
-3.5337 -1.2538 1.3364 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1863 0.3454 -0.0895 O 0 0 0 0 0 1 0 0 0 0 0 0
3.1390 -0.9437 0.6942 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3314 0.0734 -0.3003 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5684 1.2894 -1.3177 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2208 -1.3142 1.1346 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1861 -1.6473 1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2087 1.3870 -1.1481 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2356 1.7597 -1.6207 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