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1363405-21-3 | Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 5-chloro-, ethyl ester
CAS No: 1363405-21-3 Catalog No: AG0011S2 MDL No:MFCD21607428
Product Description
Catalog Number:
AG0011S2
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 5-chloro-, ethyl ester
CAS Number:
1363405-21-3
Molecular Formula:
C9H8ClN3O2
Molecular Weight:
225.6317
MDL Number:
MFCD21607428
IUPAC Name:
ethyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate
InChI:
InChI=1S/C9H8ClN3O2/c1-2-15-9(14)6-5-8-11-7(10)3-4-13(8)12-6/h3-5H,2H2,1H3
InChI Key:
HVKZDATVDUBOCP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2n(n1)ccc(n2)Cl
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:
1.8
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