CAS 1019-90-5 | Benzoxazole, 5-chloro-2-phenyl- | CAS Number 1019-90-5

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1019-90-5 | Benzoxazole, 5-chloro-2-phenyl-

CAS No: 1019-90-5 Catalog No: AG0005VX MDL No:

Product Description

Catalog Number:

AG0005VX

Chemical Name:

Benzoxazole, 5-chloro-2-phenyl-

CAS Number:

1019-90-5

Molecular Formula:

C13H8ClNO

Molecular Weight:

229.6617

IUPAC Name:

5-chloro-2-phenyl-1,3-benzoxazole

InChI:

InChI=1S/C13H8ClNO/c14-10-6-7-12-11(8-10)15-13(16-12)9-4-2-1-3-5-9/h1-8H

InChI Key:

UVIBAJPAVLHXIC-UHFFFAOYSA-N

SMILES:

Clc1ccc2c(c1)nc(o2)c1ccccc1

Properties

Complexity:

242

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

229.029g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

229.663g/mol

Monoisotopic Mass:

229.029g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.1

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