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16242-42-5 | Ethanol, 2-[(2,6-dinitrophenyl)amino]-
CAS No: 16242-42-5 Catalog No: AG001T3M MDL No:
Product Description
Catalog Number:
AG001T3M
Chemical Name:
Ethanol, 2-[(2,6-dinitrophenyl)amino]-
CAS Number:
16242-42-5
Molecular Formula:
C8H9N3O5
Molecular Weight:
227.1742
IUPAC Name:
2-(2,6-dinitroanilino)ethanol
InChI:
InChI=1S/C8H9N3O5/c12-5-4-9-8-6(10(13)14)2-1-3-7(8)11(15)16/h1-3,9,12H,4-5H2
InChI Key:
UIVZLKQKTUZDSE-UHFFFAOYSA-N
SMILES:
OCCNc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.054g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.176g/mol
Monoisotopic Mass:
227.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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