CAS 904-39-2 | Benzoxazole, 2,2'-(1,4-phenylene)bis- | CAS Number 904-39-2

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904-39-2 | Benzoxazole, 2,2'-(1,4-phenylene)bis-

CAS No: 904-39-2 Catalog No: AG006Q3Z MDL No:MFCD00389002

Product Description

Catalog Number:

AG006Q3Z

Chemical Name:

Benzoxazole, 2,2'-(1,4-phenylene)bis-

CAS Number:

904-39-2

Molecular Formula:

C20H12N2O2

Molecular Weight:

312.3215

MDL Number:

MFCD00389002

IUPAC Name:

2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole

InChI:

InChI=1S/C20H12N2O2/c1-3-7-17-15(5-1)21-19(23-17)13-9-11-14(12-10-13)20-22-16-6-2-4-8-18(16)24-20/h1-12H

InChI Key:

ICXAPFWGVRTEKV-UHFFFAOYSA-N

SMILES:

c1ccc2c(c1)oc(n2)c1ccc(cc1)c1nc2c(o1)cccc2

Properties

Complexity:

397

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

312.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

312.328g/mol

Monoisotopic Mass:

312.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.9

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Synthesis and properties of poly[p-(2,5-dihydroxy)-phenylenebenzobisoxazole] fiber.	International journal of molecular sciences 20081101