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
3.1231 -0.6726 -0.6693 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8880 -1.0942 -0.6252 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7259 -0.2560 -0.3308 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8268 1.0871 -0.0663 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3077 1.8582 0.2115 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5525 1.2678 0.2221 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6871 -0.0792 -0.0396 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5517 -0.8022 -0.3077 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9720 -0.6779 -0.0265 N 0 0 0 0 0 4 0 0 0 0 0 0
-3.9555 0.0409 0.2246 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0912 -2.0299 -0.2909 O 0 0 0 0 0 1 0 0 0 0 0 0
3.9372 -1.3668 -0.8974 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3342 0.3717 -0.4776 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7198 -2.1669 -0.8272 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7968 1.5860 -0.0666 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1731 2.9168 0.4141 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4431 1.8821 0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6175 -1.8651 -0.5184 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