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
-3.2528 0.3192 0.1185 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3534 -0.6121 -0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9349 -0.3037 -0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0116 -1.3369 -0.2335 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3440 -1.1184 -0.2214 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8538 0.1364 -0.0119 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9518 1.1535 0.1833 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4207 0.9524 0.1746 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2592 0.4043 0.0079 N 0 0 0 0 0 4 0 0 0 0 0 0
3.6531 1.5700 0.2041 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1050 -0.6400 -0.1910 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.3368 0.0866 0.0988 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0292 1.3490 0.2943 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6842 -1.6256 -0.2326 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3863 -2.3456 -0.4026 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0633 -1.9296 -0.3771 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2878 2.1643 0.3535 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1082 1.7760 0.3318 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