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
3.2251 0.5587 -0.2618 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3605 0.1771 0.6129 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9464 0.0492 0.3216 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3990 0.3211 -0.9068 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9695 0.1915 -1.1686 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8364 -0.2218 -0.1851 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2934 -0.4953 1.0461 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0524 -0.3713 1.3157 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2321 -0.3634 -0.4196 N 0 0 0 0 0 4 0 0 0 0 0 0
-3.7532 -0.1230 -1.5246 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0785 -0.7787 0.5813 O 0 0 0 0 0 1 0 0 0 0 0 0
4.2932 0.6431 0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0074 0.8198 -1.2816 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7108 -0.0637 1.6311 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0658 0.6526 -1.7104 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3367 0.4243 -2.1674 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0061 -0.8246 1.8182 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4453 -0.5956 2.2982 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