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936074-36-1 | ethyl 6-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate
CAS No: 936074-36-1 Catalog No: AG00IHOY MDL No:MFCD09261471
Product Description
Catalog Number:
AG00IHOY
Chemical Name:
ethyl 6-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate
CAS Number:
936074-36-1
Molecular Formula:
C9H8ClN3O2
Molecular Weight:
225.6317
MDL Number:
MFCD09261471
IUPAC Name:
ethyl 6-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate
InChI:
InChI=1S/C9H8ClN3O2/c1-2-15-9(14)7-4-12-13-5-6(10)3-11-8(7)13/h3-5H,2H2,1H3
InChI Key:
KSHZHABDIBXVIE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn2c1ncc(c2)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:
1.2
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