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
3.2193 -0.0854 0.2104 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1010 -0.7409 0.0961 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7825 -0.1207 0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5724 1.2310 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7038 1.8015 0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7939 0.9683 -0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6094 -0.3982 -0.1437 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3438 -0.9114 -0.0839 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7429 -1.2517 -0.2701 N 0 0 0 0 0 4 0 0 0 0 0 0
-2.5583 -2.4757 -0.3253 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0208 -0.7917 -0.3337 O 0 0 0 0 0 1 0 0 0 0 0 0
3.1911 0.9883 0.2681 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1786 -0.5718 0.2503 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1670 -1.8197 0.0408 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4007 1.9032 0.1941 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8470 2.8699 0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8052 1.3966 -0.1274 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1875 -1.9917 -0.1330 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