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
-3.2167 0.0057 0.5359 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3393 -0.5622 -0.2323 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9357 -0.2703 -0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0346 -0.9210 -1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3182 -0.6820 -0.9662 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8283 0.2213 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9494 0.8518 0.7794 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4327 0.6268 0.7598 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2451 0.4830 -0.0038 N 0 0 0 0 0 4 0 0 0 0 0 0
3.6641 1.2939 0.8179 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1374 -0.1398 -0.8347 O 0 0 0 0 0 1 0 0 0 0 0 0
-2.9657 0.7244 1.2842 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2719 -0.2539 0.4245 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7124 -1.2893 -0.9697 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4766 -1.6183 -1.6992 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9835 -1.1937 -1.6379 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3317 1.5608 1.4953 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0723 1.1627 1.4538 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