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
-3.2041 0.6018 0.3871 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3668 -0.3967 0.3486 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9305 -0.2242 0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1220 -1.3675 0.1734 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2397 -1.2633 0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8252 -0.0178 -0.0717 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0272 1.1003 -0.0422 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3389 1.0110 0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2466 0.1213 -0.2146 N 0 0 0 0 0 4 0 0 0 0 0 0
3.7357 1.2605 -0.3102 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0145 -1.0246 -0.2400 O 0 0 0 0 0 1 0 0 0 0 0 0
-2.9029 1.6258 0.3147 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2640 0.4294 0.4965 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7783 -1.4062 0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5685 -2.3491 0.2581 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9101 -2.1295 0.0098 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4418 2.1133 -0.1252 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9650 1.9157 0.1153 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