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1955523-82-6 | 3-iodo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CAS No: 1955523-82-6 Catalog No: AG01B1ZQ MDL No:MFCD29991544
Product Description
Catalog Number:
AG01B1ZQ
Chemical Name:
3-iodo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CAS Number:
1955523-82-6
Molecular Formula:
C6H8IN3
Molecular Weight:
249.0523
MDL Number:
MFCD29991544
IUPAC Name:
3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
InChI:
InChI=1S/C6H8IN3/c7-5-4-9-10-3-1-2-8-6(5)10/h4,8H,1-3H2
InChI Key:
VBPMBLKWANECPJ-UHFFFAOYSA-N
SMILES:
Ic1cnn2c1NCCC2
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.976g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.055g/mol
Monoisotopic Mass:
248.976g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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