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
3.2230 0.5475 0.5814 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2878 0.7855 -0.2956 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9028 0.3479 -0.1843 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0200 0.6583 -1.1843 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3418 0.2613 -1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8080 -0.4666 -0.0415 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9175 -0.7866 0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4204 -0.3783 0.8783 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1539 -0.8814 0.0480 N 0 0 0 0 0 4 0 0 0 0 0 0
-3.5813 -1.5329 1.0038 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0497 -0.5642 -0.9513 O 0 0 0 0 0 1 0 0 0 0 0 0
4.2380 0.8926 0.4562 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0127 -0.0100 1.4746 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5765 1.3652 -1.1906 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3548 1.2332 -2.0291 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0360 0.5273 -1.9254 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2184 -1.3609 1.8393 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1106 -0.6380 1.6755 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