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
-3.2408 0.4885 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3992 -0.5114 -0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9698 -0.2749 -0.0162 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3813 0.9660 0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0028 1.1425 0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8512 0.0670 0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2836 -1.1858 -0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0757 -1.3609 -0.0318 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2701 0.2285 0.0387 N 0 0 0 0 0 4 0 0 0 0 0 0
3.7804 1.3648 0.0698 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1110 -0.8470 0.0227 O 0 0 0 0 0 1 0 0 0 0 0 0
-2.9709 1.5266 0.0045 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3395 0.3188 -0.0371 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7621 -1.5258 -0.0631 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0344 1.8446 0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4099 2.1368 0.0632 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9814 -2.0303 -0.0261 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5166 -2.3481 -0.0589 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