Home Halogens {6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methanol

{6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methanol

CAS No.:
749930-90-3
Catalog Number:
AG01B1ZR
Molecular Formula:
C6H5BrN4O
Molecular Weight:
229.0341
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Product Description
Catalog Number:
AG01B1ZR
Chemical Name:
{6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methanol
CAS Number:
749930-90-3
Molecular Formula:
C6H5BrN4O
Molecular Weight:
229.0341
MDL Number:
MFCD30342635
IUPAC Name:
(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanol
InChI:
InChI=1S/C6H5BrN4O/c7-4-1-8-6-9-5(3-12)10-11(6)2-4/h1-2,12H,3H2
InChI Key:
GVGKPVZXJRQKPY-UHFFFAOYSA-N
SMILES:
OCc1nn2c(n1)ncc(c2)Br
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.965g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.037g/mol
Monoisotopic Mass:
227.965g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties