Home Halogens 7-bromo-2-(hydroxymethyl)-4H-pyrido[1,2-a]pyrimidin-4-one

7-bromo-2-(hydroxymethyl)-4H-pyrido[1,2-a]pyrimidin-4-one

CAS No.:
926236-92-2
Catalog Number:
AG019MG6
Molecular Formula:
C9H7BrN2O2
Molecular Weight:
255.0681
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Product Description
Catalog Number:
AG019MG6
Chemical Name:
7-bromo-2-(hydroxymethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CAS Number:
926236-92-2
Molecular Formula:
C9H7BrN2O2
Molecular Weight:
255.0681
MDL Number:
MFCD08442276
IUPAC Name:
7-bromo-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one
InChI:
InChI=1S/C9H7BrN2O2/c10-6-1-2-8-11-7(5-13)3-9(14)12(8)4-6/h1-4,13H,5H2
InChI Key:
FTHCWOHHXOTFAP-UHFFFAOYSA-N
SMILES:
OCc1cc(=O)n2c(n1)ccc(c2)Br
Properties
Complexity:
407  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.969g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
255.071g/mol
Monoisotopic Mass:
253.969g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties