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
3.1880 0.6950 0.0893 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4099 -0.3308 -0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9633 -0.2107 -0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3072 0.9939 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0931 1.0648 0.0978 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8558 -0.0723 -0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1816 -1.2729 -0.1331 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1789 -1.3744 -0.1343 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2612 0.0410 -0.0173 N 0 0 0 0 0 4 0 0 0 0 0 0
-3.7826 1.1575 0.0894 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0131 -1.0965 -0.1342 O 0 0 0 0 0 1 0 0 0 0 0 0
2.8001 1.6830 0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2669 0.5646 0.0835 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8361 -1.3185 -0.1114 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8718 1.9154 0.1945 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5383 2.0497 0.1919 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7971 -2.1593 -0.2245 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7006 -2.3297 -0.2250 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