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877874-01-6 | 3-Aminobenzo[e][1,2,4]triazin-7-ol
CAS No: 877874-01-6 Catalog No: AG004KY7 MDL No:MFCD11865215
Product Description
Catalog Number:
AG004KY7
Chemical Name:
3-Aminobenzo[e][1,2,4]triazin-7-ol
CAS Number:
877874-01-6
Molecular Formula:
C7H6N4O
Molecular Weight:
162.1487
MDL Number:
MFCD11865215
IUPAC Name:
3-amino-1,2,4-benzotriazin-7-ol
InChI:
InChI=1S/C7H6N4O/c8-7-9-5-2-1-4(12)3-6(5)10-11-7/h1-3,12H,(H2,8,9,11)
InChI Key:
HUJVEXOUCQWRFM-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)nnc(n2)N
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.054g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
162.152g/mol
Monoisotopic Mass:
162.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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