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63989-40-2 | 2-((2-Hydroxyethyl)amino)-5-nitrobenzonitrile
CAS No: 63989-40-2 Catalog No: AG003ERY MDL No:MFCD00051934
Product Description
Catalog Number:
AG003ERY
Chemical Name:
2-((2-Hydroxyethyl)amino)-5-nitrobenzonitrile
CAS Number:
63989-40-2
Molecular Formula:
C9H9N3O3
Molecular Weight:
207.1861
MDL Number:
MFCD00051934
IUPAC Name:
2-(2-hydroxyethylamino)-5-nitrobenzonitrile
InChI:
InChI=1S/C9H9N3O3/c10-6-7-5-8(12(14)15)1-2-9(7)11-3-4-13/h1-2,5,11,13H,3-4H2
InChI Key:
AADOGXABUHCROC-UHFFFAOYSA-N
SMILES:
OCCNc1ccc(cc1C#N)[N+](=O)[O-]
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.189g/mol
Monoisotopic Mass:
207.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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