Monomers
3-Nitrostyrene
Identifiers
IUPAC name
1-ethenyl-3-nitrobenzene
InchI
InChI=1S/C8H7NO2/c1-2-7-4-3-5-8(6-7)9(10)11/h2-6H,1H2
InchI Key
SYZVQXIUVGKCBJ-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)[N+](=O)[O-]
Canonical SMILES
C=CC1=CC(=CC=C1)[N+](=O)[O-]
Isomeric SMILES
C=CC1=CC(=CC=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
2.6532 -1.3274 -0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2860 -0.0726 -0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8734 0.2748 -0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4993 1.6277 -0.0892 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8047 2.0484 -0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7977 1.0842 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5069 -0.2610 0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1585 -0.6289 0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4778 -1.2727 0.1258 N 0 0 0 0 0 4 0 0 0 0 0 0
-3.6794 -0.9853 0.1446 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1179 -2.5828 0.1773 O 0 0 0 0 0 1 0 0 0 0 0 0
1.9696 -2.1615 0.0474 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7064 -1.6220 -0.0241 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0657 0.6809 -0.1138 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3126 2.3481 -0.1445 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0760 3.1118 -0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8276 1.4192 0.0098 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0803 -1.6810 0.0761 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
7 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
6 17 1 0
8 18 1 0
M CHG 2 9 1 11 -1
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers