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
-3.0531 0.7176 0.3767 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8778 1.1133 -0.0257 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7103 0.2646 0.0629 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7793 -1.0060 0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3877 -1.7499 0.6245 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5875 -1.2504 0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6212 0.0316 -0.3352 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4896 0.7969 -0.3985 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8603 0.5674 -0.8061 N 0 0 0 0 0 4 0 0 0 0 0 0
2.8869 1.7241 -1.2666 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0084 -0.1925 -0.7484 O 0 0 0 0 0 1 0 0 0 0 0 0
-3.2407 -0.2485 0.7961 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9415 1.3550 0.3126 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8046 2.1094 -0.4328 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7165 -1.4522 0.9493 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3033 -2.7628 1.0406 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4652 -1.8435 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5137 1.8260 -0.8082 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