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
3.0968 -0.9898 0.5121 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3635 0.0849 0.5639 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9432 0.0926 0.2732 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2449 1.2858 0.3545 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1010 1.3676 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7917 0.2270 -0.2642 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1230 -0.9703 -0.3523 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2398 -1.0358 -0.0843 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1847 0.3123 -0.5347 N 0 0 0 0 0 4 0 0 0 0 0 0
-3.8409 -0.6964 -0.8599 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8597 1.5052 -0.4486 O 0 0 0 0 0 1 0 0 0 0 0 0
2.6946 -1.9410 0.2499 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1557 -0.9503 0.7374 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8317 1.0459 0.8415 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8099 2.1774 0.6389 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6299 2.3335 0.1663 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6306 -1.8817 -0.6286 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7814 -1.9667 -0.1484 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