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
-3.2361 -0.6533 -0.0928 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4204 0.3536 -0.1201 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9776 0.2094 -0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1495 1.3323 -0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2109 1.2402 -0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8614 0.0231 0.0746 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0660 -1.0972 0.1096 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3211 -0.9946 0.0468 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2823 -0.0520 0.1372 N 0 0 0 0 0 4 0 0 0 0 0 0
3.8622 -1.1442 0.2266 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9927 1.1106 0.0962 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.3031 -0.5007 -0.1455 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8840 -1.6585 -0.0179 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8230 1.3701 -0.1977 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6327 2.2885 -0.1637 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8639 2.1239 -0.0518 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5462 -2.0556 0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9382 -1.8955 0.0759 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