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
-3.2530 -0.5612 0.0506 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3505 0.1772 0.6333 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9276 0.1322 0.3137 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0188 0.9463 0.9728 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3285 0.9138 0.6806 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8507 0.0751 -0.2788 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9397 -0.7381 -0.9367 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4167 -0.7131 -0.6503 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2406 0.0444 -0.5774 N 0 0 0 0 0 4 0 0 0 0 0 0
3.7321 -0.7041 -1.4386 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0531 0.8893 0.1317 O 0 0 0 0 0 1 0 0 0 0 0 0
-3.0611 -1.2749 -0.7173 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2980 -0.4635 0.3517 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6577 0.8868 1.4192 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4233 1.6108 1.7312 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0175 1.5558 1.2057 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3462 -1.4111 -1.7042 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1016 -1.3658 -1.1872 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