Monomers
3-Nitrostyrene
Identifiers
IUPAC name
1-ethenyl-3-nitrobenzene
InchI
InChI=1S/C8H7NO2/c1-2-7-4-3-5-8(6-7)9(10)11/h2-6H,1H2
InchI Key
SYZVQXIUVGKCBJ-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)[N+](=O)[O-]
Canonical SMILES
C=CC1=CC(=CC=C1)[N+](=O)[O-]
Isomeric SMILES
C=CC1=CC(=CC=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
2.6559 -1.3276 -0.4983 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1828 -0.1012 -0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8172 0.2803 -0.3067 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4115 1.5955 -0.4784 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8731 1.9941 -0.1832 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7582 1.0554 0.2905 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4132 -0.2696 0.4825 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1041 -0.6205 0.1693 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3430 -1.2261 0.9736 N 0 0 0 0 0 4 0 0 0 0 0 0
-1.9544 -2.3978 1.1187 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6293 -0.8642 1.2773 O 0 0 0 0 0 1 0 0 0 0 0 0
3.6739 -1.5971 -0.7427 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0495 -2.1441 -0.1352 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9000 0.6430 -1.0102 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1680 2.2756 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1477 3.0232 -0.3303 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7836 1.3377 0.5341 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1478 -1.6568 0.3249 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
7 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
6 17 1 0
8 18 1 0
M CHG 2 9 1 11 -1
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers