CAS 42454-06-8 | 5-Hydroxy-2-nitrobenzaldehyde | CAS Number 42454-06-8

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42454-06-8 | 5-Hydroxy-2-nitrobenzaldehyde

CAS No: 42454-06-8 Catalog No: AG003MSF MDL No:MFCD00007332

Product Description

Catalog Number:

AG003MSF

Chemical Name:

5-Hydroxy-2-nitrobenzaldehyde

CAS Number:

42454-06-8

Molecular Formula:

C7H5NO4

Molecular Weight:

167.1189

MDL Number:

MFCD00007332

IUPAC Name:

5-hydroxy-2-nitrobenzaldehyde

InChI:

InChI=1S/C7H5NO4/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-4,10H

InChI Key:

XLYPHUGUKGMURE-UHFFFAOYSA-N

SMILES:

O=Cc1cc(O)ccc1[N+](=O)[O-]

EC Number:

255-832-9

UNII:

VA926Z93IF

NSC Number:

93899

Properties

Complexity:

188

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

167.022g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

167.12g/mol

Monoisotopic Mass:

167.022g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9

Literature

Title	Journal
2-Cyano-N'-(5-hy-droxy-2-nitro-benzyl-idene)acetohydrazide monohydrate.	Acta crystallographica. Section E, Structure reports online 20110801
2-Chloro-N'-(5-hydr-oxy-2-nitro-benzyl-idene)benzohydrazide.	Acta crystallographica. Section E, Structure reports online 20100201
(E)-4-Chloro-N'-(5-hydr-oxy-2-nitro-benzyl-idene)benzohydrazide.	Acta crystallographica. Section E, Structure reports online 20091001
Solid-phase synthesis of tetrahydro-1,4-benzodiazepine-2-one derivatives as a beta-turn peptidomimetic library.	Journal of combinatorial chemistry 20040101