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17481-62-8 | 4H-Pyrido[1,2-a]pyrimidine-3-carboxaldehyde, 2-chloro-4-oxo-
CAS No: 17481-62-8 Catalog No: AG001ZZ2 MDL No:MFCD00858192
Product Description
Catalog Number:
AG001ZZ2
Chemical Name:
4H-Pyrido[1,2-a]pyrimidine-3-carboxaldehyde, 2-chloro-4-oxo-
CAS Number:
17481-62-8
Molecular Formula:
C9H5ClN2O2
Molecular Weight:
208.6012
MDL Number:
MFCD00858192
IUPAC Name:
2-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
InChI:
InChI=1S/C9H5ClN2O2/c10-8-6(5-13)9(14)12-4-2-1-3-7(12)11-8/h1-5H
InChI Key:
VHLHXLJSHPMFCL-UHFFFAOYSA-N
SMILES:
O=Cc1c(Cl)nc2n(c1=O)cccc2
NSC Number:
106678
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.004g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.601g/mol
Monoisotopic Mass:
208.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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 |
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