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
3.2146 -0.1504 -0.3939 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3543 0.4485 0.3866 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9349 0.2531 0.2442 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3967 -0.5716 -0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9609 -0.7599 -0.8549 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8550 -0.1239 -0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3120 0.7007 0.9333 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0296 0.9007 1.0865 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2457 -0.3231 -0.1762 N 0 0 0 0 0 4 0 0 0 0 0 0
-4.0296 0.2591 0.5790 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7112 -1.1531 -1.1485 O 0 0 0 0 0 1 0 0 0 0 0 0
4.3095 0.0127 -0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9974 -0.8304 -1.2013 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7157 1.1077 1.1593 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0613 -1.1090 -1.4102 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3206 -1.4229 -1.6323 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0292 1.2029 1.5876 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4502 1.5588 1.8540 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