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
3.1279 -0.7913 0.3128 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8872 -1.1794 0.0982 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7264 -0.3037 0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8228 1.0300 0.4714 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2929 1.8500 0.5346 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5341 1.3317 0.2914 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6604 -0.0147 -0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5205 -0.7982 -0.0696 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9513 -0.5234 -0.2632 N 0 0 0 0 0 4 0 0 0 0 0 0
-3.9369 0.2151 -0.2042 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1208 -1.8423 -0.5701 O 0 0 0 0 0 1 0 0 0 0 0 0
3.3108 0.2388 0.5577 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9412 -1.4966 0.2431 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7186 -2.2431 -0.1526 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7680 1.5064 0.6745 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1998 2.8996 0.7744 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4310 1.9600 0.3355 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6552 -1.8387 -0.3118 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