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
-3.1830 -0.4979 0.2085 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9783 -0.9961 0.3435 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7438 -0.2433 0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7668 1.0707 -0.3208 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4214 1.7643 -0.5569 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6545 1.1768 -0.3944 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6641 -0.1550 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4936 -0.8369 0.2525 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9185 -0.7867 0.1963 N 0 0 0 0 0 4 0 0 0 0 0 0
2.9383 -1.9671 0.5638 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0937 -0.1334 -0.0270 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.0319 -1.1327 0.4206 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3474 0.5272 -0.1081 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8905 -2.0420 0.6679 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6947 1.6048 -0.4717 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3931 2.8009 -0.8794 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5722 1.7193 -0.5789 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4870 -1.8729 0.5755 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