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1379307-30-8 | 4-?chloro-?1H-?pyrazolo[3,?4-?d]?pyrimidine-?3-?carbaldehyde
CAS No: 1379307-30-8 Catalog No: AG01DY45 MDL No:
Product Description
Catalog Number:
AG01DY45
Chemical Name:
4-?chloro-?1H-?pyrazolo[3,?4-?d]?pyrimidine-?3-?carbaldehyde
CAS Number:
1379307-30-8
IUPAC Name:
4-chloro-2H-pyrazolo[3,4-d]pyrimidine-3-carbaldehyde
InChI:
InChI=1S/C6H3ClN4O/c7-5-4-3(1-12)10-11-6(4)9-2-8-5/h1-2H,(H,8,9,10,11)
InChI Key:
POGQFWRXIHZDJI-UHFFFAOYSA-N
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.567g/mol
Monoisotopic Mass:
182g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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