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
3.2697 0.3993 -0.3369 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3584 -0.5317 -0.3828 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9305 -0.2761 -0.1623 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0347 -1.3239 -0.2301 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3168 -1.1384 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8439 0.1054 0.2464 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9535 1.1587 0.3157 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4156 0.9709 0.1141 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2411 0.2943 0.4517 N 0 0 0 0 0 4 0 0 0 0 0 0
-3.7519 1.3983 0.7033 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0672 -0.7959 0.3680 O 0 0 0 0 0 1 0 0 0 0 0 0
3.0558 1.4512 -0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3054 0.1586 -0.5063 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6811 -1.5462 -0.5958 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4158 -2.3275 -0.4484 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0326 -1.9613 -0.0827 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3491 2.1554 0.5347 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0892 1.8090 0.1736 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