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
-3.2204 0.5042 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3716 -0.0941 -0.4722 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9559 -0.0695 -0.2379 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1109 -0.7415 -1.1339 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2532 -0.7484 -0.9543 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8180 -0.0927 0.1134 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0322 0.5801 1.0188 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3543 0.5707 0.8114 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2301 -0.1352 0.2459 N 0 0 0 0 0 4 0 0 0 0 0 0
3.8346 0.4336 1.1880 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0020 -0.8094 -0.6636 O 0 0 0 0 0 1 0 0 0 0 0 0
-2.8965 1.0459 1.1739 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3013 0.4963 0.1496 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7655 -0.6247 -1.3271 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5801 -1.2492 -1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8952 -1.2794 -1.6658 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4614 1.1069 1.8732 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9701 1.1062 1.5335 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