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857492-03-6 | 3-[(2-HYDROXYPHENYL)AMINO]-1,2,4-TRIAZIN-5(4H)-ONE
CAS No: 857492-03-6 Catalog No: AG004P4J MDL No:MFCD08732561
Product Description
Catalog Number:
AG004P4J
Chemical Name:
3-[(2-HYDROXYPHENYL)AMINO]-1,2,4-TRIAZIN-5(4H)-ONE
CAS Number:
857492-03-6
Molecular Formula:
C9H8N4O2
Molecular Weight:
204.1854
MDL Number:
MFCD08732561
IUPAC Name:
3-(2-hydroxyanilino)-4H-1,2,4-triazin-5-one
InChI:
InChI=1S/C9H8N4O2/c14-7-4-2-1-3-6(7)11-9-12-8(15)5-10-13-9/h1-5,14H,(H2,11,12,13,15)
InChI Key:
MVDXJZUDSPVVFR-UHFFFAOYSA-N
SMILES:
Oc1ccccc1Nc1nncc(=O)[nH]1
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.065g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
204.189g/mol
Monoisotopic Mass:
204.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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