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87591-84-2 | 4H-Pyrido[1,2-a]pyrimidin-4-one,2-(chloromethyl)-8-methyl-
CAS No: 87591-84-2 Catalog No: AG004M4E MDL No:MFCD03988539
Product Description
Catalog Number:
AG004M4E
Chemical Name:
4H-Pyrido[1,2-a]pyrimidin-4-one,2-(chloromethyl)-8-methyl-
CAS Number:
87591-84-2
Molecular Formula:
C10H9ClN2O
Molecular Weight:
208.6443
MDL Number:
MFCD03988539
IUPAC Name:
2-(chloromethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one
InChI:
InChI=1S/C10H9ClN2O/c1-7-2-3-13-9(4-7)12-8(6-11)5-10(13)14/h2-5H,6H2,1H3
InChI Key:
VPGYSSGSLPBIFC-UHFFFAOYSA-N
SMILES:
ClCc1cc(=O)n2c(n1)cc(cc2)C
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.645g/mol
Monoisotopic Mass:
208.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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