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
3.2089 0.4819 -0.6235 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3173 0.5741 0.3407 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9142 0.2513 0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4292 -0.1766 -1.0548 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9325 -0.4774 -1.1858 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8207 -0.3624 -0.1395 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3278 0.0674 1.0752 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0204 0.3641 1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1949 -0.6792 -0.3195 N 0 0 0 0 0 4 0 0 0 0 0 0
-3.5967 -1.0602 -1.4217 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0605 -0.5547 0.7459 O 0 0 0 0 0 1 0 0 0 0 0 0
4.2464 0.7346 -0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9875 0.1621 -1.6283 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6498 0.9115 1.3311 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0494 -0.2959 -1.9274 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3249 -0.8137 -2.1313 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9916 0.1688 1.9137 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4264 0.7043 2.1513 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