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
3.1893 -0.3160 0.0956 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1767 0.4411 -0.2152 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7838 0.0181 -0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4348 -1.1974 0.5056 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9047 -1.5647 0.6789 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8882 -0.6759 0.3118 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5761 0.5597 -0.2194 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2410 0.8697 -0.3682 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5878 1.4883 -0.6032 N 0 0 0 0 0 4 0 0 0 0 0 0
-2.2732 2.5794 -1.0727 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9099 1.1770 -0.4540 O 0 0 0 0 0 1 0 0 0 0 0 0
3.1009 -1.3130 0.5223 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1969 0.0427 -0.0699 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3743 1.4272 -0.6386 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1922 -1.9099 0.8003 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1232 -2.5452 1.1001 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9378 -0.9406 0.4377 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0068 1.8596 -0.7936 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