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
-3.2900 -0.1478 -0.2601 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3681 0.3060 0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9481 0.1602 0.2837 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4572 -0.4708 -0.8323 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9256 -0.5856 -1.0359 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8444 -0.0816 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3468 0.5515 0.9748 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0122 0.6679 1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2459 -0.2004 -0.3556 N 0 0 0 0 0 4 0 0 0 0 0 0
3.6655 -0.7825 -1.3853 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1815 0.2843 0.5011 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.3389 -0.0194 -0.0327 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0510 -0.6586 -1.1635 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6514 0.8281 1.4655 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1172 -0.8917 -1.5764 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3191 -1.0861 -1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0803 0.9522 1.6829 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3750 1.1742 2.0766 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