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
-3.2967 -0.2016 -0.4198 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3884 0.3103 0.3668 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9510 0.1572 0.1956 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0821 0.7543 1.1059 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2763 0.6358 0.9825 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8612 -0.0765 -0.0428 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0208 -0.6761 -0.9558 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3594 -0.5515 -0.8242 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2872 -0.1908 -0.1575 N 0 0 0 0 0 4 0 0 0 0 0 0
3.7492 -0.8454 -1.1025 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0451 0.4347 0.7903 O 0 0 0 0 0 1 0 0 0 0 0 0
-2.9949 -0.7886 -1.2716 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3450 -0.0316 -0.2092 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7110 0.9108 1.2376 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4715 1.3272 1.9337 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9681 1.1057 1.6992 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4166 -1.2494 -1.7838 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0246 -1.0244 -1.5443 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