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
-3.2499 0.3593 0.3902 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4089 -0.4481 -0.1903 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9733 -0.2360 -0.1137 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0980 -1.1315 -0.7551 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2669 -0.9774 -0.7144 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8544 0.0689 -0.0388 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0211 0.9571 0.5958 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3704 0.7972 0.5523 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2817 0.2112 -0.0088 N 0 0 0 0 0 4 0 0 0 0 0 0
4.0035 -0.6146 -0.5965 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8827 1.2429 0.6563 O 0 0 0 0 0 1 0 0 0 0 0 0
-2.8804 1.2048 0.9409 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3247 0.1875 0.3242 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8307 -1.2937 -0.7384 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5814 -1.9541 -1.2852 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9130 -1.6894 -1.2221 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4671 1.7838 1.1304 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9728 1.5320 1.0733 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