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
3.2581 -0.1351 -0.4681 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3348 0.6975 -0.0749 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9196 0.3535 -0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4165 -0.8837 -0.3439 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9434 -1.1716 -0.2615 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8515 -0.2293 0.1656 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3444 1.0076 0.5053 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0018 1.2961 0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2496 -0.4944 0.2605 N 0 0 0 0 0 4 0 0 0 0 0 0
-4.0723 0.3467 0.6434 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6768 -1.7484 -0.0953 O 0 0 0 0 0 1 0 0 0 0 0 0
4.3120 0.1631 -0.5074 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0909 -1.1628 -0.7834 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6417 1.6936 0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1278 -1.6367 -0.6834 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3249 -2.1545 -0.5342 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0354 1.7739 0.8465 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3950 2.2845 0.6978 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