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
3.2441 0.3520 0.4769 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3685 0.1911 -0.4762 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9308 0.0674 -0.2837 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0868 -0.1028 -1.3910 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2673 -0.2194 -1.2113 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8496 -0.1764 0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9919 -0.0073 1.1096 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3571 0.1115 0.9628 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2495 -0.2969 0.2195 N 0 0 0 0 0 4 0 0 0 0 0 0
-4.0538 -0.4488 -0.7077 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7590 -0.2442 1.4954 O 0 0 0 0 0 1 0 0 0 0 0 0
4.3101 0.4424 0.3168 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9256 0.4030 1.4998 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7443 0.1467 -1.4865 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5655 -0.1340 -2.3612 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8976 -0.3519 -2.1056 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4453 0.0270 2.0868 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9812 0.2407 1.8232 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