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
-3.1957 0.3098 -0.6672 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4045 -0.4291 0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9674 -0.2347 0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2981 0.7288 -0.6531 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0776 0.8973 -0.6207 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8374 0.0701 0.1741 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2140 -0.9070 0.9198 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1475 -1.0474 0.8654 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2344 0.2706 0.1822 N 0 0 0 0 0 4 0 0 0 0 0 0
3.7770 1.1509 -0.4920 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0058 -0.5463 0.9697 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.2832 0.1390 -0.6611 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8879 1.1169 -1.3092 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8211 -1.2108 0.6637 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9072 1.3912 -1.2896 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5457 1.6725 -1.2156 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8505 -1.5447 1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6295 -1.8269 1.4623 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