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891-15-6 | Benzoxazole, 5-chloro-2-(4-methoxyphenyl)-
CAS No: 891-15-6 Catalog No: AG003Z5N MDL No:
Product Description
Catalog Number:
AG003Z5N
Chemical Name:
Benzoxazole, 5-chloro-2-(4-methoxyphenyl)-
CAS Number:
891-15-6
Molecular Formula:
C14H10ClNO2
Molecular Weight:
259.6877
IUPAC Name:
5-chloro-2-(4-methoxyphenyl)-1,3-benzoxazole
InChI:
InChI=1S/C14H10ClNO2/c1-17-11-5-2-9(3-6-11)14-16-12-8-10(15)4-7-13(12)18-14/h2-8H,1H3
InChI Key:
BPYMXOZKPMEEDX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc2c(o1)ccc(c2)Cl
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.04g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.689g/mol
Monoisotopic Mass:
259.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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