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
-3.1505 -0.8329 -0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3522 -0.0130 -0.7923 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9199 0.0751 -0.5737 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1679 0.9852 -1.2962 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1762 1.0605 -1.0839 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8028 0.2463 -0.1616 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0417 -0.6553 0.5508 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3257 -0.7506 0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2085 0.3308 0.0548 N 0 0 0 0 0 4 0 0 0 0 0 0
3.8617 1.1572 -0.6074 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8363 -0.4614 0.9558 O 0 0 0 0 0 1 0 0 0 0 0 0
-2.7900 -1.5191 0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2152 -0.8707 -0.3562 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7974 0.6514 -1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6837 1.6188 -2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8011 1.7581 -1.6275 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5237 -1.2926 1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8496 -1.4879 0.9565 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