Monomers
4-Nitrostyrene
Identifiers
IUPAC name
1-ethenyl-4-nitrobenzene
InchI
InChI=1S/C8H7NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6H,1H2
InchI Key
YFZHODLXYNDBSM-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)[N+](=O)[O-]
Canonical SMILES
C=CC1=CC=C(C=C1)[N+](=O)[O-]
Isomeric SMILES
C=CC1=CC=C(C=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
3.2510 -0.6024 0.6285 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4033 0.3884 0.5101 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9648 0.2161 0.4034 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1500 1.3426 0.2807 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2215 1.2336 0.1762 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8297 -0.0083 0.1905 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0560 -1.1337 0.3099 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3271 -0.9898 0.4136 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2439 -0.0874 0.0810 N 0 0 0 0 0 4 0 0 0 0 0 0
-3.8593 -1.1720 0.0868 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0026 1.0489 -0.0377 O 0 0 0 0 0 1 0 0 0 0 0 0
4.3162 -0.4609 0.7069 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8765 -1.6090 0.6496 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8178 1.4044 0.4918 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5998 2.3243 0.2669 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8473 2.1091 0.0814 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5354 -2.1004 0.3206 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8892 -1.9033 0.5052 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
6 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
7 17 1 0
8 18 1 0
M CHG 2 9 1 11 -1
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers