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
-3.1372 0.8749 -0.2872 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4122 -0.1391 0.1122 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9571 -0.1557 0.0978 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2889 -1.2934 0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0860 -1.2648 0.5164 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8024 -0.1845 0.0693 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1547 0.9477 -0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2490 0.9387 -0.3549 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2177 -0.2109 0.0594 N 0 0 0 0 0 4 0 0 0 0 0 0
3.8292 -1.2249 0.4604 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9519 0.8471 -0.3790 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.2065 0.8191 -0.2491 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6772 1.7592 -0.6515 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9047 -1.0529 0.4889 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8406 -2.1538 0.9039 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6198 -2.1539 0.8681 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7173 1.7991 -0.7313 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7055 1.8481 -0.7159 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