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
-3.1506 -0.4083 0.2389 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9832 -0.9867 0.3063 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7742 -0.2264 0.0856 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7308 1.1100 -0.2022 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4435 1.8282 -0.4122 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6373 1.1505 -0.3248 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6650 -0.2194 -0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4683 -0.8656 0.1625 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9085 -0.9076 0.0542 N 0 0 0 0 0 4 0 0 0 0 0 0
2.8948 -2.1211 0.3144 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0753 -0.2254 -0.1479 O 0 0 0 0 0 1 0 0 0 0 0 0
-3.3066 0.6291 0.0247 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0378 -1.0026 0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8967 -2.0382 0.5269 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6503 1.6658 -0.2768 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4098 2.8918 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5773 1.6548 -0.4778 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4503 -1.9290 0.3907 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