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
3.2811 0.1148 0.4068 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2448 0.9262 0.4476 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8724 0.4558 0.3507 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1841 1.3481 0.3987 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5052 0.9739 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7979 -0.3662 0.1711 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7700 -1.2796 0.1199 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5418 -0.8732 0.2083 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1410 -0.8047 0.0782 N 0 0 0 0 0 4 0 0 0 0 0 0
-4.0980 -0.0014 0.1213 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3991 -2.1429 -0.0623 O 0 0 0 0 0 1 0 0 0 0 0 0
4.3009 0.4823 0.4806 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1825 -0.9531 0.2987 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4386 1.9988 0.5597 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0599 2.4120 0.5119 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3208 1.6838 0.3522 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9951 -2.3468 0.0071 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2889 -1.6280 0.1623 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