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
3.2422 -0.5913 0.4204 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4122 0.3722 0.1656 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9614 0.2137 0.0542 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3297 -1.0005 0.2133 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0623 -1.0943 0.0958 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8498 0.0018 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2161 1.2146 -0.3377 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1591 1.3028 -0.2209 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2690 -0.1005 -0.2976 N 0 0 0 0 0 4 0 0 0 0 0 0
-3.8744 -1.1755 -0.1612 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9955 1.0127 -0.5697 O 0 0 0 0 0 1 0 0 0 0 0 0
2.8790 -1.5950 0.5673 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2986 -0.3913 0.4862 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8237 1.3800 0.0226 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8866 -1.8786 0.4263 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5713 -2.0510 0.2201 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8137 2.1048 -0.5569 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6596 2.2755 -0.3489 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