N-(2-Hydroxy-4-nitrophenyl)acetamide - CAS 25351-89-7

Catalog:	BB018875
Product Name:	N-(2-Hydroxy-4-nitrophenyl)acetamide
CAS:	25351-89-7
Synonyms:	N-(2-hydroxy-4-nitrophenyl)acetamide; N-(2-hydroxy-4-nitrophenyl)acetamide

Technical Data

Patents

Computed Properties

IUPAC Name:	N-(2-hydroxy-4-nitrophenyl)acetamide
Description:	N-(2-Hydroxy-4-nitrophenyl)acetamide (CAS# 25351-89-7) is a useful research chemical.
Molecular Weight:	196.16
Molecular Formula:	C8H8N2O4
Canonical SMILES:	CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])O
InChI:	InChI=1S/C8H8N2O4/c1-5(11)9-7-3-2-6(10(13)14)4-8(7)12/h2-4,12H,1H3,(H,9,11)
InChI Key:	VVVCUZJRBFEICS-UHFFFAOYSA-N
Boiling Point:	436.1 °C at 760 mmHg
Density:	1.477 g/cm³
LogP:	1.85500

Publication Number	Title	Priority Date
US-2015057312-A1	Substituted quinolines as bruton's tyrosine kinases inhibitors	20120404
US-9353062-B2	Substituted quinolines as bruton's tyrosine kinases inhibitors	20120404
CN-102625797-A	Substituted heterocyclic compounds as kinases inhibitors and method of use thereof	20090625
CN-102625797-B	Substituted heterocyclic compounds as kinases inhibitors and method of use thereof	20090625
EP-2445885-A2	Substituted heterocyclic compounds as kinases inhibitors and method of use thereof	20090625

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Complexity:	238
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.04840674
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	196.04840674
Rotatable Bond Count:	1
Topological Polar Surface Area:	95.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2