2'-Bromo-5'-chloro-4'-methylacetanilide - CAS 116010-06-1

Catalog:	BB003683
Product Name:	2'-Bromo-5'-chloro-4'-methylacetanilide
CAS:	116010-06-1
Synonyms:	N-(2-bromo-5-chloro-4-methylphenyl)acetamide; N-(2-bromo-5-chloro-4-methylphenyl)acetamide

Technical Data

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Computed Properties

IUPAC Name:	N-(2-bromo-5-chloro-4-methylphenyl)acetamide
Description:	2'-Bromo-5'-chloro-4'-methylacetanilide (CAS# 116010-06-1) is a useful research chemical.
Molecular Weight:	262.53
Molecular Formula:	C9H9BrClNO
Canonical SMILES:	CC1=CC(=C(C=C1Cl)NC(=O)C)Br
InChI:	InChI=1S/C9H9BrClNO/c1-5-3-7(10)9(4-8(5)11)12-6(2)13/h3-4H,1-2H3,(H,12,13)
InChI Key:	QIMHWSBYSKKYFR-UHFFFAOYSA-N
LogP:	4.01880

Publication Number	Title	Priority Date
AU-2013253539-A1	Benzamide derivative	20120424
AU-2013253541-A1	Quinazolinedione derivative	20120424
CA-2871237-A1	Benzamide derivative	20120424
CA-2871453-A1	Quinazolinedione derivative	20120424
EP-2842939-A1	Benzamide derivative	20120424

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Complexity:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	260.9556
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	260.9556
Rotatable Bond Count:	1
Topological Polar Surface Area:	29.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8