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
3.1701 -0.2768 -0.2936 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9958 -0.8397 -0.4344 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7361 -0.2022 -0.1199 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7166 1.0848 0.3641 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4928 1.7207 0.6751 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6725 1.0540 0.4955 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6583 -0.2522 0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4726 -0.8717 -0.2987 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8824 -0.9296 -0.1762 N 0 0 0 0 0 4 0 0 0 0 0 0
-3.9399 -0.3707 0.0968 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8941 -2.1993 -0.6519 O 0 0 0 0 0 1 0 0 0 0 0 0
3.2882 0.7247 0.0751 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0955 -0.8052 -0.5472 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9510 -1.8731 -0.8194 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6290 1.6727 0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5085 2.7412 1.0588 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6251 1.5130 0.7247 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4360 -1.8909 -0.6833 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