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
-3.2501 0.5256 0.0996 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3980 -0.4410 -0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9557 -0.2859 -0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0985 -1.3535 -0.2238 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2725 -1.2330 -0.2091 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8652 -0.0044 -0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0234 1.0717 0.1736 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3703 0.9459 0.1581 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2707 0.1741 0.0163 N 0 0 0 0 0 4 0 0 0 0 0 0
4.0808 -0.7581 -0.1412 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7813 1.4310 0.2225 O 0 0 0 0 0 1 0 0 0 0 0 0
-2.9694 1.5550 0.2691 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3142 0.3463 0.0738 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7840 -1.4569 -0.2308 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5804 -2.3303 -0.3838 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9270 -2.0814 -0.3521 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4635 2.0619 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9637 1.8331 0.3073 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