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89355-95-3 | Acetic acid, chloro-, 5-methylpyrazolo[1,5-a]pyrimidin-2-yl ester
CAS No: 89355-95-3 Catalog No: AG003Z80 MDL No:
Product Description
Catalog Number:
AG003Z80
Chemical Name:
Acetic acid, chloro-, 5-methylpyrazolo[1,5-a]pyrimidin-2-yl ester
CAS Number:
89355-95-3
Molecular Formula:
C9H8ClN3O2
Molecular Weight:
225.6317
IUPAC Name:
(5-methylpyrazolo[1,5-a]pyrimidin-2-yl) 2-chloroacetate
InChI:
InChI=1S/C9H8ClN3O2/c1-6-2-3-13-7(11-6)4-8(12-13)15-9(14)5-10/h2-4H,5H2,1H3
InChI Key:
QZQZIUAPDVXHTL-UHFFFAOYSA-N
SMILES:
Cc1ccn2c(n1)cc(n2)OC(=O)CCl
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:
1.4
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