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
3.1395 -0.5738 -0.2661 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9423 -1.0716 -0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7353 -0.2459 -0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7722 1.1078 -0.2761 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4102 1.8553 -0.2657 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6010 1.2151 -0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6697 -0.1570 0.2194 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4914 -0.8561 0.2013 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9280 -0.7780 0.4696 N 0 0 0 0 0 4 0 0 0 0 0 0
-2.9972 -1.9829 0.6810 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0511 -0.0021 0.4685 O 0 0 0 0 0 1 0 0 0 0 0 0
3.3429 0.4793 -0.4676 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9952 -1.2464 -0.2514 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8504 -2.1310 0.1462 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7247 1.6185 -0.4724 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3351 2.9238 -0.4547 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5248 1.7630 -0.0059 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4939 -1.9182 0.3809 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