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
3.2685 0.2828 -0.4733 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3551 -0.6270 -0.2741 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9381 -0.3323 -0.1431 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0172 -1.3633 0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3168 -1.1266 0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8243 0.1504 0.1219 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9595 1.1894 -0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3923 0.9286 -0.2124 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2339 0.3945 0.2573 N 0 0 0 0 0 4 0 0 0 0 0 0
-4.0154 -0.5498 0.4451 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7034 1.6828 0.1764 O 0 0 0 0 0 1 0 0 0 0 0 0
4.3046 0.0201 -0.5641 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9952 1.3160 -0.5499 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6731 -1.6574 -0.2028 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4271 -2.3621 0.1271 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0240 -1.9506 0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3456 2.2173 -0.1485 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0514 1.7873 -0.3773 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