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
-3.1281 -0.8433 0.6315 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3690 0.2096 0.6094 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9534 0.1483 0.2552 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1945 1.3272 0.2527 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1423 1.3114 -0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8093 0.1568 -0.4164 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0762 -1.0067 -0.4179 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2834 -0.9989 -0.0855 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1865 0.1353 -0.7552 N 0 0 0 0 0 4 0 0 0 0 0 0
3.7332 -0.9402 -1.0547 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9588 1.2693 -0.7679 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.1907 -0.7388 0.9064 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7366 -1.8095 0.3867 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8078 1.1754 0.8656 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7119 2.2406 0.5201 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7124 2.2326 -0.0716 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5729 -1.9353 -0.6826 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8161 -1.9338 -0.1005 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