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
-3.2269 0.3933 -0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3380 -0.5558 -0.1816 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9163 -0.2959 -0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4156 0.9731 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9435 1.1565 0.2144 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8190 0.0953 0.2663 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2997 -1.1898 0.1678 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0343 -1.3727 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2143 0.2916 0.4159 N 0 0 0 0 0 4 0 0 0 0 0 0
4.0027 -0.6678 0.4625 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7291 1.5518 0.5130 O 0 0 0 0 0 1 0 0 0 0 0 0
-3.0234 1.4489 -0.1811 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2975 0.1630 -0.3566 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6892 -1.5905 -0.2539 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0479 1.8398 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3624 2.1619 0.2927 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0302 -2.0118 0.2134 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4119 -2.3911 -0.0496 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