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
-3.2556 -0.2895 -0.5924 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4166 0.0605 0.3521 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9734 0.0370 0.1782 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3082 -0.3397 -0.9535 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0891 -0.3336 -1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8601 0.0585 0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1910 0.4392 1.1748 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1820 0.4338 1.2603 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2781 0.0713 -0.0365 N 0 0 0 0 0 4 0 0 0 0 0 0
3.9279 0.4348 0.9602 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9738 -0.3006 -1.1571 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.3169 -0.2446 -0.3853 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8586 -0.6097 -1.5424 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8501 0.3840 1.3143 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8978 -0.6531 -1.8111 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5585 -0.6425 -1.9617 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8275 0.7467 2.0117 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6469 0.7474 2.1961 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