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Home > Bromides > 1370008-37-9
1370008-37-9 | Pyrazolo[1,5-a]-1,3,5-triazin-4(3H)-one, 8-bromo-
CAS No: 1370008-37-9 Catalog No: AG0012OQ MDL No:
Product Description
Catalog Number:
AG0012OQ
Chemical Name:
Pyrazolo[1,5-a]-1,3,5-triazin-4(3H)-one, 8-bromo-
CAS Number:
1370008-37-9
Molecular Formula:
C5H3BrN4O
Molecular Weight:
215.0075
IUPAC Name:
8-bromo-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
InChI:
InChI=1S/C5H3BrN4O/c6-3-1-9-10-4(3)7-2-8-5(10)11/h1-2H,(H,7,8,11)
InChI Key:
DTPAGDAWKRYTPJ-UHFFFAOYSA-N
SMILES:
Brc1cnn2c1nc[nH]c2=O
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.949g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.01g/mol
Monoisotopic Mass:
213.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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