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
-3.2161 0.4331 -0.3738 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3223 -0.4919 -0.5083 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9108 -0.2744 -0.2235 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4329 0.9438 0.2118 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9249 1.1191 0.4757 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8127 0.0864 0.3086 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3035 -1.1174 -0.1273 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0152 -1.3272 -0.3953 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2165 0.2450 0.5748 N 0 0 0 0 0 4 0 0 0 0 0 0
3.5929 1.3628 0.9644 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0994 -0.7886 0.4068 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.2760 0.2239 -0.6013 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9653 1.4205 -0.0421 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6368 -1.4694 -0.8469 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0660 1.8031 0.3674 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3016 2.0755 0.8177 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9968 -1.9495 -0.2655 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4069 -2.2947 -0.7429 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