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
-2.9112 1.0820 0.9546 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3619 -0.0395 0.5798 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9715 -0.1095 0.2187 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1613 0.9949 0.2512 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1926 0.9151 -0.1029 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7544 -0.2783 -0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9345 -1.4069 -0.5311 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3886 -1.3170 -0.1826 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1155 -0.3459 -0.8493 N 0 0 0 0 0 4 0 0 0 0 0 0
3.8172 0.6639 -0.8099 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6570 -1.5294 -1.2351 O 0 0 0 0 0 1 0 0 0 0 0 0
-3.9864 1.1159 1.2296 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4165 2.0313 1.0328 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9500 -0.9545 0.5321 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5051 1.9738 0.5444 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8107 1.8107 -0.0669 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3506 -2.3723 -0.8395 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9800 -2.2343 -0.2298 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