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
2.8214 -0.8920 0.3467 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2481 0.1563 -0.1749 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8158 0.3086 -0.1946 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3057 1.4828 -0.7842 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0521 1.6876 -0.8342 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9192 0.7527 -0.3117 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3970 -0.3808 0.2563 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0219 -0.6251 0.3261 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2743 -1.3665 0.8057 N 0 0 0 0 0 4 0 0 0 0 0 0
-1.8218 -2.3982 1.3235 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6170 -1.1367 0.7421 O 0 0 0 0 0 1 0 0 0 0 0 0
2.2355 -1.6686 0.7753 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9125 -1.0236 0.3697 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9038 0.9107 -0.5949 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9817 2.2111 -1.1913 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4202 2.6025 -1.2949 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0049 0.9299 -0.3587 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3037 -1.5506 0.7941 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