CAS 150079-92-8 | Benzamide, 5-bromo-2-chloro-N-ethyl- | CAS Number 150079-92-8

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150079-92-8 | Benzamide, 5-bromo-2-chloro-N-ethyl-

CAS No: 150079-92-8 Catalog No: AG001MAD MDL No:MFCD04219747

Product Description

Catalog Number:

AG001MAD

Chemical Name:

Benzamide, 5-bromo-2-chloro-N-ethyl-

CAS Number:

150079-92-8

Molecular Formula:

C9H9BrClNO

Molecular Weight:

262.5309

MDL Number:

MFCD04219747

IUPAC Name:

5-bromo-2-chloro-N-ethylbenzamide

InChI:

InChI=1S/C9H9BrClNO/c1-2-12-9(13)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3,(H,12,13)

InChI Key:

HQSZTPWXSDKGAC-UHFFFAOYSA-N

SMILES:

CCNC(=O)c1cc(Br)ccc1Cl

Properties

Complexity:

189

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

260.956g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

262.531g/mol

Monoisotopic Mass:

260.956g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501