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
3.2177 0.7352 -0.1315 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3999 -0.2812 0.0554 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9498 -0.1878 0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1976 -1.3526 0.2507 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1706 -1.2791 0.2352 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8559 -0.1020 0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0880 1.0218 -0.1907 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3060 0.9945 -0.1837 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2710 -0.0462 0.0039 N 0 0 0 0 0 4 0 0 0 0 0 0
-3.9430 -1.0670 0.1921 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9270 1.1323 -0.2154 O 0 0 0 0 0 1 0 0 0 0 0 0
4.3091 0.5798 -0.1012 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8105 1.7190 -0.3141 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8938 -1.2575 0.2367 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7030 -2.3034 0.4274 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7629 -2.1752 0.4002 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6057 1.9549 -0.3642 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8367 1.9145 -0.3532 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