Monomers
3-Nitrostyrene
Identifiers
IUPAC name
1-ethenyl-3-nitrobenzene
InchI
InChI=1S/C8H7NO2/c1-2-7-4-3-5-8(6-7)9(10)11/h2-6H,1H2
InchI Key
SYZVQXIUVGKCBJ-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)[N+](=O)[O-]
Canonical SMILES
C=CC1=CC(=CC=C1)[N+](=O)[O-]
Isomeric SMILES
C=CC1=CC(=CC=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
2.7239 -1.2338 0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2917 -0.0564 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8664 0.2468 -0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4595 1.5332 -0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8564 1.8934 -0.5569 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8414 0.9956 -0.2047 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4822 -0.2771 0.1833 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1288 -0.6254 0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4548 -1.2372 0.5549 N 0 0 0 0 0 4 0 0 0 0 0 0
-2.0987 -2.3771 0.9002 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7882 -0.9205 0.5372 O 0 0 0 0 0 1 0 0 0 0 0 0
3.7930 -1.4528 0.2287 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0973 -2.0473 0.5282 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0247 0.7083 -0.4204 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2362 2.2577 -0.8071 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1085 2.9198 -0.8723 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8942 1.3125 -0.2403 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1604 -1.6398 0.5191 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
7 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
6 17 1 0
8 18 1 0
M CHG 2 9 1 11 -1
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers