2-Chloro-4'-nitroacetanilide - CAS 17329-87-2

Catalog:	BB012909
Product Name:	2-Chloro-4'-nitroacetanilide
CAS:	17329-87-2
Synonyms:	2-chloro-N-(4-nitrophenyl)acetamide; 2-chloro-N-(4-nitrophenyl)acetamide

Technical Data

Patents

Computed Properties

IUPAC Name:	2-chloro-N-(4-nitrophenyl)acetamide
Description:	2-Chloro-4'-nitroacetanilide (CAS# 17329-87-2) is a useful research chemical.
Molecular Weight:	214.61
Molecular Formula:	C8H7ClN2O3
Canonical SMILES:	C1=CC(=CC=C1NC(=O)CCl)[N+](=O)[O-]
InChI:	InChI=1S/C8H7ClN2O3/c9-5-8(12)10-6-1-3-7(4-2-6)11(13)14/h1-4H,5H2,(H,10,12)
InChI Key:	AZURFBCEYQYATI-UHFFFAOYSA-N
Boiling Point:	439.4 °C at 760 mmHg
Density:	1.472 g/cm³
LogP:	2.36830

Publication Number	Title	Priority Date
CN-111004141-A	Novel method for synthesizing Nintedanib intermediate 2-chloro-N-methyl-N- (4-nitrophenyl) acetamide	20191219
WO-2020073770-A1	Selective butyrylcholine esterase inhibitor and preparation method and use thereof	20181009
US-2020039944-A1	Cathepsin-d and angiogenesis inhibitors and compositions thereof for treating breast cancer	20170308
WO-2018163204-A1	Cathepsin-d and angiogenesis inhibitors and compositions thereof for treating breast cancer	20170308
US-10954197-B2	Cathepsin-D and angiogenesis inhibitors and compositions thereof for treating breast cancer	20170308

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Complexity:	221
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.0145198
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	214.0145198
Rotatable Bond Count:	2
Topological Polar Surface Area:	74.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3