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
2.6161 -1.5036 -0.4566 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2381 -0.2534 -0.5844 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8725 0.1854 -0.3569 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5554 1.5425 -0.5161 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7144 2.0373 -0.3192 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7213 1.1625 0.0512 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4619 -0.1896 0.2223 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1632 -0.6352 0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5064 -1.0763 0.6030 N 0 0 0 0 0 4 0 0 0 0 0 0
-2.2514 -2.2843 0.7508 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7746 -0.6181 0.8057 O 0 0 0 0 0 1 0 0 0 0 0 0
1.8902 -2.2381 -0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6550 -1.7928 -0.6372 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9728 0.4783 -0.8705 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3832 2.2047 -0.8109 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8975 3.1014 -0.4585 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7187 1.5702 0.2026 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0263 -1.6908 0.1471 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