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
-3.0691 -0.9060 0.1246 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7990 -1.2541 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6923 -0.3346 -0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9048 1.0203 -0.0878 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1565 1.9238 -0.1891 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4224 1.3842 -0.2006 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6788 0.0161 -0.1178 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5968 -0.8183 -0.0203 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0165 -0.4621 -0.1361 N 0 0 0 0 0 4 0 0 0 0 0 0
3.2196 -1.6779 -0.0616 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0802 0.3899 -0.2341 O 0 0 0 0 0 1 0 0 0 0 0 0
-3.4181 0.1252 0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8585 -1.6422 0.2043 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5972 -2.3369 0.1656 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9021 1.4395 -0.0784 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0182 2.9927 -0.2549 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2892 2.0397 -0.2778 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7993 -1.8994 0.0452 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