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
3.2657 -0.2675 -0.3481 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3875 0.0929 0.5577 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9540 0.0654 0.3024 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3954 -0.3343 -0.8923 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9697 -0.3557 -1.1218 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8510 0.0330 -0.1367 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3058 0.4364 1.0668 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0518 0.4577 1.2951 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2629 0.0250 -0.3344 N 0 0 0 0 0 4 0 0 0 0 0 0
-3.7345 -0.3414 -1.4245 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1332 0.4111 0.6448 O 0 0 0 0 0 1 0 0 0 0 0 0
4.3357 -0.2305 -0.1112 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0509 -0.6109 -1.3419 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7287 0.4195 1.5196 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0663 -0.6523 -1.7046 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3966 -0.6745 -2.0723 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0297 0.7406 1.8337 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4475 0.7857 2.2677 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