CAS 2460-59-5 | Benzaldehyde, 2-hydroxy-3,5-dinitro- | CAS Number 2460-59-5

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2460-59-5 | Benzaldehyde, 2-hydroxy-3,5-dinitro-

CAS No: 2460-59-5 Catalog No: AG002OPN MDL No:MFCD00007103

Product Description

Catalog Number:

AG002OPN

Chemical Name:

Benzaldehyde, 2-hydroxy-3,5-dinitro-

CAS Number:

2460-59-5

Molecular Formula:

C7H4N2O6

Molecular Weight:

212.1165

MDL Number:

MFCD00007103

IUPAC Name:

2-hydroxy-3,5-dinitrobenzaldehyde

InChI:

InChI=1S/C7H4N2O6/c10-3-4-1-5(8(12)13)2-6(7(4)11)9(14)15/h1-3,11H

InChI Key:

FLJXIBHYDIMYRS-UHFFFAOYSA-N

SMILES:

O=Cc1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-]

EC Number:

219-551-5

Properties

Complexity:

282

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

212.007g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

212.117g/mol

Monoisotopic Mass:

212.007g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

129A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1

Literature

Title	Journal
Drug targeting Mycobacterium tuberculosis cell wall synthesis: development of a microtiter plate-based screen for UDP-galactopyranose mutase and identification of an inhibitor from a uridine-based library.	Antimicrobial agents and chemotherapy 20030101