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
3.1590 0.8850 -0.4438 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4184 -0.1452 -0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9633 -0.1376 -0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2182 0.9736 -0.3894 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1623 0.9783 -0.3536 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7934 -0.1955 -0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1127 -1.3533 0.2992 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2606 -1.3010 0.2476 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2222 -0.2253 0.0394 N 0 0 0 0 0 4 0 0 0 0 0 0
-3.8454 -1.2591 0.3463 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9688 0.8869 -0.2527 O 0 0 0 0 0 1 0 0 0 0 0 0
4.2609 0.8324 -0.4586 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7055 1.8103 -0.6914 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9336 -1.0747 0.1125 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7082 1.9039 -0.6635 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7408 1.8726 -0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6441 -2.2687 0.5703 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8618 -2.1825 0.4788 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