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1384265-61-5 | 3H-Pyrazolo[3,4-d]pyrimidin-3-one, 6-chloro-1,2-dihydro-
CAS No: 1384265-61-5 Catalog No: AG00194B MDL No:
Product Description
Catalog Number:
AG00194B
Chemical Name:
3H-Pyrazolo[3,4-d]pyrimidin-3-one, 6-chloro-1,2-dihydro-
CAS Number:
1384265-61-5
Molecular Formula:
C5H3ClN4O
Molecular Weight:
170.5565
IUPAC Name:
6-chloro-1,2-dihydropyrazolo[3,4-d]pyrimidin-3-one
InChI:
InChI=1S/C5H3ClN4O/c6-5-7-1-2-3(8-5)9-10-4(2)11/h1H,(H2,7,8,9,10,11)
InChI Key:
DHTQPJXESRTUGD-UHFFFAOYSA-N
SMILES:
Clc1ncc2c(n1)[nH][nH]c2=O
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.556g/mol
Monoisotopic Mass:
170g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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