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Home > Nitro Compounds > 114119-94-7
114119-94-7 | Benzene, 1-(1-diazoethyl)-2-nitro- (9CI)
CAS No: 114119-94-7 Catalog No: AG000AM1 MDL No:
Product Description
Catalog Number:
AG000AM1
Chemical Name:
Benzene, 1-(1-diazoethyl)-2-nitro- (9CI)
CAS Number:
114119-94-7
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
IUPAC Name:
1-(1-diazoethyl)-2-nitrobenzene
InChI:
InChI=1S/C8H7N3O2/c1-6(10-9)7-4-2-3-5-8(7)11(12)13/h2-5H,1H3
InChI Key:
ZBNVNNVXWPVJLX-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=C(c1ccccc1[N+](=O)[O-])C
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Recovery of the oxidative activity of caged bovine haemoglobin after UV photolysis. | Biochemical and biophysical research communications 20040730 |
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