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
2.7887 1.0714 -0.2133 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2471 -0.1260 -0.2605 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8181 -0.3431 -0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3330 -1.6450 -0.1688 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0029 -1.9550 -0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8597 -0.8932 0.1736 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4406 0.4073 0.2457 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0807 0.6658 0.1024 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3283 1.4939 0.4588 N 0 0 0 0 0 4 0 0 0 0 0 0
-3.5417 1.2476 0.5853 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8799 2.7866 0.5265 O 0 0 0 0 0 1 0 0 0 0 0 0
2.1800 1.9233 -0.0569 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8569 1.1933 -0.3336 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9189 -0.9911 -0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0391 -2.4640 -0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3594 -2.9901 -0.0879 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9154 -1.0893 0.2853 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2267 1.7076 0.1636 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