CAS 2912-78-9 | Benzamide, 2-hydroxy-5-nitro- | CAS Number 2912-78-9

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2912-78-9 | Benzamide, 2-hydroxy-5-nitro-

CAS No: 2912-78-9 Catalog No: AG002XE6 MDL No:MFCD12027045

Product Description

Catalog Number:

AG002XE6

Chemical Name:

Benzamide, 2-hydroxy-5-nitro-

CAS Number:

2912-78-9

Molecular Formula:

C7H6N2O4

Molecular Weight:

182.1335

MDL Number:

MFCD12027045

IUPAC Name:

2-hydroxy-5-nitrobenzamide

InChI:

InChI=1S/C7H6N2O4/c8-7(11)5-3-4(9(12)13)1-2-6(5)10/h1-3,10H,(H2,8,11)

InChI Key:

SVIKHLOGVRDSGQ-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1ccc(c(c1)C(=O)N)O

Properties

Complexity:

225

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

182.033g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

182.135g/mol

Monoisotopic Mass:

182.033g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

109A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

Literature

Title	Journal
Car-Parrinello simulation of the vibrational spectrum of a medium strong hydrogen bond by two-dimensional quantization of the nuclear motion: application to 2-hydroxy-5-nitrobenzamide.	The journal of physical chemistry. B 20120419
2-Hy-droxy-5-nitro-N-phenyl-benzamide.	Acta crystallographica. Section E, Structure reports online 20100701