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29067-85-4 | Tetrazolo[1,5-a]quinoxalin-4(5H)-one (8CI,9CI)
CAS No: 29067-85-4 Catalog No: AG002X8C MDL No:MFCD03013314
Product Description
Catalog Number:
AG002X8C
Chemical Name:
Tetrazolo[1,5-a]quinoxalin-4(5H)-one (8CI,9CI)
CAS Number:
29067-85-4
Molecular Formula:
C8H5N5O
Molecular Weight:
187.1582
MDL Number:
MFCD03013314
IUPAC Name:
5H-tetrazolo[1,5-a]quinoxalin-4-one
InChI:
InChI=1S/C8H5N5O/c14-8-7-10-11-12-13(7)6-4-2-1-3-5(6)9-8/h1-4H,(H,9,14)
InChI Key:
SECOVEPJEIBBPV-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2ccccc2n2c1nnn2
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.162g/mol
Monoisotopic Mass:
187.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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