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
3.0344 -1.0539 0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7769 -1.2897 -0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7238 -0.3219 -0.1717 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8769 0.9708 0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1875 1.8832 0.3011 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4441 1.4511 -0.0557 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6520 0.1530 -0.4711 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5771 -0.7028 -0.5218 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9603 -0.2984 -0.8430 N 0 0 0 0 0 4 0 0 0 0 0 0
-3.9447 0.4497 -0.8068 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1218 -1.6005 -1.2510 O 0 0 0 0 0 1 0 0 0 0 0 0
3.3017 -0.0671 0.3771 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7834 -1.8275 -0.0457 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5393 -2.3109 -0.5995 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8726 1.3139 0.5149 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0132 2.8793 0.6274 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2946 2.1077 -0.0215 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7399 -1.7359 -0.8519 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