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
-3.3003 -0.3066 0.1255 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3651 0.3648 -0.5053 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9379 0.2031 -0.2598 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0066 0.9611 -0.9787 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3428 0.8284 -0.7673 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8344 -0.0670 0.1719 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9480 -0.8299 0.8984 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4182 -0.6750 0.6634 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2346 -0.1687 0.3547 N 0 0 0 0 0 4 0 0 0 0 0 0
4.0316 0.5209 -0.3022 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7466 -1.0451 1.2756 O 0 0 0 0 0 1 0 0 0 0 0 0
-3.0479 -1.0289 0.8753 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3491 -0.1585 -0.0846 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6415 1.1061 -1.2758 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3798 1.6703 -1.7217 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0706 1.4276 -1.3361 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3487 -1.5205 1.6240 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1110 -1.2824 1.2425 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