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
3.1863 0.3434 0.5097 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1444 -0.4488 0.3669 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7845 -0.0082 0.1288 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4139 1.3104 0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8939 1.6892 -0.2055 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8483 0.7051 -0.3274 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5384 -0.6320 -0.2298 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2217 -0.9556 -0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5516 -1.6216 -0.3611 N 0 0 0 0 0 4 0 0 0 0 0 0
-2.2829 -2.8276 -0.2750 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8483 -1.2335 -0.5869 O 0 0 0 0 0 1 0 0 0 0 0 0
4.1906 -0.0552 0.6881 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0254 1.4059 0.4461 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2993 -1.5349 0.4304 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1738 2.0849 0.1192 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1538 2.7539 -0.2854 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8791 1.0392 -0.5079 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0001 -2.0147 0.0706 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