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821023-59-0 | Pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 5,7-dichloro-6-(3-thienyl)-
CAS No: 821023-59-0 Catalog No: AG0051IN MDL No:
Product Description
Catalog Number:
AG0051IN
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 5,7-dichloro-6-(3-thienyl)-
CAS Number:
821023-59-0
Molecular Formula:
C11H4Cl2N4S
Molecular Weight:
295.1473
IUPAC Name:
5,7-dichloro-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
InChI:
InChI=1S/C11H4Cl2N4S/c12-9-8(6-1-2-18-5-6)10(13)17-11(16-9)7(3-14)4-15-17/h1-2,4-5H
InChI Key:
KWRVFLINRWYLJZ-UHFFFAOYSA-N
SMILES:
N#Cc1cnn2c1nc(Cl)c(c2Cl)c1ccsc1
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.953g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.141g/mol
Monoisotopic Mass:
293.953g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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