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
-3.2838 0.0917 0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3204 -0.7715 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9338 -0.3510 -0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0452 -1.3321 -0.2035 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3845 -1.0116 -0.2172 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8319 0.2808 -0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8739 1.2544 0.1491 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4834 0.9312 0.1632 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2202 0.5876 -0.0606 N 0 0 0 0 0 4 0 0 0 0 0 0
3.6402 1.7480 0.0954 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1199 -0.4256 -0.2555 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.3483 -0.1958 0.1722 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0507 1.1287 0.3122 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6172 -1.8050 -0.1515 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2780 -2.3452 -0.3417 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1498 -1.7725 -0.3677 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2210 2.2647 0.2858 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1710 1.7234 0.3149 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