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1224944-77-7 | Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 5-chloro-, ethyl ester
CAS No: 1224944-77-7 Catalog No: AG0017B3 MDL No:MFCD12407819
Product Description
Catalog Number:
AG0017B3
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 5-chloro-, ethyl ester
CAS Number:
1224944-77-7
Molecular Formula:
C9H8ClN3O2
Molecular Weight:
225.6317
MDL Number:
MFCD12407819
IUPAC Name:
ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate
InChI:
InChI=1S/C9H8ClN3O2/c1-2-15-9(14)6-5-11-13-4-3-7(10)12-8(6)13/h3-5H,2H2,1H3
InChI Key:
UOZKVCQDLXBWBG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn2c1nc(Cl)cc2
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.031g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.632g/mol
Monoisotopic Mass:
225.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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