2-Carbamoyl-3-nitrobenzoic Acid - CAS 77326-45-5

Catalog:	BB035895
Product Name:	2-Carbamoyl-3-nitrobenzoic Acid
CAS:	77326-45-5
Synonyms:	2-carbamoyl-3-nitrobenzoic acid; 2-carbamoyl-3-nitrobenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	2-carbamoyl-3-nitrobenzoic acid
Description:	2-Carbamoyl-3-nitrobenzoic Acid (CAS# 77326-45-5) is a useful research chemical.
Molecular Weight:	210.14
Molecular Formula:	C8H6N2O5
Canonical SMILES:	C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)N)C(=O)O
InChI:	InChI=1S/C8H6N2O5/c9-7(11)6-4(8(12)13)2-1-3-5(6)10(14)15/h1-3H,(H2,9,11)(H,12,13)
InChI Key:	IGLWGHRTQOYFDV-UHFFFAOYSA-N
Boiling Point:	398.5 °C at 760 mmHg
Density:	1.585 g/cm³
LogP:	1.61540

Publication Number	Title	Priority Date
US-2018258064-A1	Solid forms of 3-(5-amino-2-methyl-4-oxo-4h-quinazolin-3-yl)-piperidine-2,6-dione, and their pharmaceutical compositions and uses	20170307
WO-2018165142-A1	Solid forms of 3-(5-amino-2-methyl-4-oxo-4h-quinazolin-3-yl)-piperidine-2,6-dione, and their pharmaceutical compositions and uses	20170307
US-2018238886-A1	Methods for treating hematological cancer and the use of biomarkers as a predictor for responsiveness to treatment compounds	20170131
WO-2018144445-A1	Methods for treating hematological cancer and the use of biomarkers as a predictor for responsiveness to treatment compounds	20170131
US-2019017998-A1	Compositions and methods for inducing conformational changes in cereblon and other e3 ubiquitin ligases	20151228

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Complexity:	298
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.0276713
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	210.0276713
Rotatable Bond Count:	2
Topological Polar Surface Area:	126
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1