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1261171-00-9 | 4H-Pyrido[1,2-a]pyrimidin-4-one, 6-bromo-
CAS No: 1261171-00-9 Catalog No: AG000RMX MDL No:
Product Description
Catalog Number:
AG000RMX
Chemical Name:
4H-Pyrido[1,2-a]pyrimidin-4-one, 6-bromo-
CAS Number:
1261171-00-9
Molecular Formula:
C8H5BrN2O
Molecular Weight:
225.0421
IUPAC Name:
6-bromopyrido[1,2-a]pyrimidin-4-one
InChI:
InChI=1S/C8H5BrN2O/c9-6-2-1-3-7-10-5-4-8(12)11(6)7/h1-5H
InChI Key:
CQFXIOCMAVBBAO-UHFFFAOYSA-N
SMILES:
Brc1cccc2n1c(=O)ccn2
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.959g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.045g/mol
Monoisotopic Mass:
223.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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