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
3.2714 -0.1542 0.3218 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3313 0.6902 -0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9249 0.3464 -0.0645 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0078 1.2833 -0.4903 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3577 1.0111 -0.5059 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8123 -0.2113 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9368 -1.1578 0.3304 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4269 -0.8578 0.3369 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2196 -0.5037 -0.1071 N 0 0 0 0 0 4 0 0 0 0 0 0
-4.0487 0.3491 -0.4930 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6818 -1.7087 0.2977 O 0 0 0 0 0 1 0 0 0 0 0 0
4.3280 0.1194 0.3116 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0791 -1.1575 0.6754 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6422 1.6672 -0.4043 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3501 2.2633 -0.8211 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0832 1.7652 -0.8464 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3079 -2.1271 0.6561 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1020 -1.6172 0.6750 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