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
3.0795 0.0187 -0.8232 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1363 -0.5611 -0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7799 -0.0604 -0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3944 1.0252 -0.9033 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9399 1.4018 -0.8467 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8745 0.7433 -0.0875 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4886 -0.3478 0.6623 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1726 -0.7334 0.6174 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4620 -1.0329 1.4523 N 0 0 0 0 0 4 0 0 0 0 0 0
-3.6420 -0.6431 1.4580 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1413 -2.1245 2.2197 O 0 0 0 0 0 1 0 0 0 0 0 0
4.0858 -0.4217 -0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8832 0.8675 -1.4336 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3506 -1.4367 0.5032 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0962 1.5877 -1.5265 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2612 2.2636 -1.4346 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9285 1.0593 -0.0572 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1046 -1.6053 1.2247 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