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Home Halogens 4H-Pyrido[1,2-a]pyrimidine-3-carboxaldehyde, 2-chloro-9-methyl-4-oxo-

4H-Pyrido[1,2-a]pyrimidine-3-carboxaldehyde, 2-chloro-9-methyl-4-oxo-

CAS No.:
17326-27-1
Catalog Number:
AG001YQR
Molecular Formula:
C10H7ClN2O2
Molecular Weight:
222.6278
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Product Description
Catalog Number:
AG001YQR
Chemical Name:
4H-Pyrido[1,2-a]pyrimidine-3-carboxaldehyde, 2-chloro-9-methyl-4-oxo-
CAS Number:
17326-27-1
Molecular Formula:
C10H7ClN2O2
Molecular Weight:
222.6278
MDL Number:
MFCD03284432
IUPAC Name:
2-chloro-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
InChI:
InChI=1S/C10H7ClN2O2/c1-6-3-2-4-13-9(6)12-8(11)7(5-14)10(13)15/h2-5H,1H3
InChI Key:
GRPNAYGQWRHKDA-UHFFFAOYSA-N
SMILES:
O=Cc1c(Cl)nc2n(c1=O)cccc2C
Properties
Complexity:
472  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.02g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.628g/mol
Monoisotopic Mass:
222.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties