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87779-06-4 | 4H-Pyrido[1,2-a]pyrimidin-4-one, 3-bromo-6-chloro-2-(chloromethyl)-
CAS No: 87779-06-4 Catalog No: AG004IBH MDL No:
Product Description
Catalog Number:
AG004IBH
Chemical Name:
4H-Pyrido[1,2-a]pyrimidin-4-one, 3-bromo-6-chloro-2-(chloromethyl)-
CAS Number:
87779-06-4
Molecular Formula:
C9H5BrCl2N2O
Molecular Weight:
307.9588
IUPAC Name:
3-bromo-6-chloro-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one
InChI:
InChI=1S/C9H5BrCl2N2O/c10-8-5(4-11)13-7-3-1-2-6(12)14(7)9(8)15/h1-3H,4H2
InChI Key:
MULNATYFDWYUPB-UHFFFAOYSA-N
SMILES:
ClCc1nc2cccc(n2c(=O)c1Br)Cl
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.896g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.956g/mol
Monoisotopic Mass:
305.896g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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