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
-3.1843 -0.0588 0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1161 -0.6508 -0.3038 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7957 -0.1226 -0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5941 1.0200 0.6915 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6897 1.4917 0.9256 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7958 0.8396 0.4434 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5921 -0.3081 -0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3300 -0.7884 -0.5274 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7441 -0.9948 -0.7937 N 0 0 0 0 0 4 0 0 0 0 0 0
3.8918 -0.5635 -0.5782 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6429 -2.1447 -1.5308 O 0 0 0 0 0 1 0 0 0 0 0 0
-3.1402 0.8319 0.7101 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1659 -0.4947 -0.0902 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1658 -1.5796 -0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4188 1.6095 1.1178 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8548 2.3996 1.5028 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8154 1.2114 0.6274 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2242 -1.6976 -1.1089 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