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39123-82-5 | N-BENZOOXAZOL-2-YL-GUANIDINE
CAS No: 39123-82-5 Catalog No: AG00C8ZZ MDL No:MFCD00087216
Product Description
Catalog Number:
AG00C8ZZ
Chemical Name:
N-BENZOOXAZOL-2-YL-GUANIDINE
CAS Number:
39123-82-5
Molecular Formula:
C8H8N4O
Molecular Weight:
176.1753
MDL Number:
MFCD00087216
IUPAC Name:
2-(1,3-benzoxazol-2-yl)guanidine
InChI:
InChI=1S/C8H8N4O/c9-7(10)12-8-11-5-3-1-2-4-6(5)13-8/h1-4H,(H4,9,10,11,12)
InChI Key:
FNGZREDJXWXRBW-UHFFFAOYSA-N
SMILES:
NC(=N)Nc1nc2c(o1)cccc2
NSC Number:
8967
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.07g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.179g/mol
Monoisotopic Mass:
176.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| 2-(1,3-Benzoxazol-2-yl)guanidinium chloride. | Acta crystallographica. Section E, Structure reports online 20111101 |
| 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 |
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