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157284-07-6 | 1,2,4-Benzotriazin-7-ol, 3-amino-, 1-oxide
CAS No: 157284-07-6 Catalog No: AG001PCY MDL No:MFCD14706815
Product Description
Catalog Number:
AG001PCY
Chemical Name:
1,2,4-Benzotriazin-7-ol, 3-amino-, 1-oxide
CAS Number:
157284-07-6
Molecular Formula:
C7H6N4O2
Molecular Weight:
178.1481
MDL Number:
MFCD14706815
IUPAC Name:
3-amino-1-hydroxy-1,2,4-benzotriazin-7-one
InChI:
InChI=1S/C7H6N4O2/c8-7-9-5-2-1-4(12)3-6(5)11(13)10-7/h1-3,13H,(H2,8,10)
InChI Key:
MAULWFGDMKIPCY-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)[n+]([O-])nc(n2)N
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.151g/mol
Monoisotopic Mass:
178.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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