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25171-57-7 | Phenol, 4-(4,6-diamino-1,3,5-triazin-2-yl)-
CAS No: 25171-57-7 Catalog No: AG002QQZ MDL No:
Product Description
Catalog Number:
AG002QQZ
Chemical Name:
Phenol, 4-(4,6-diamino-1,3,5-triazin-2-yl)-
CAS Number:
25171-57-7
Molecular Formula:
C9H9N5O
Molecular Weight:
203.2007
IUPAC Name:
4-(4,6-diamino-1,3,5-triazin-2-yl)phenol
InChI:
InChI=1S/C9H9N5O/c10-8-12-7(13-9(11)14-8)5-1-3-6(15)4-2-5/h1-4,15H,(H4,10,11,12,13,14)
InChI Key:
GKRLZIVYFAJYEO-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1nc(N)nc(n1)N
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.081g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
203.205g/mol
Monoisotopic Mass:
203.081g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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