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Home > Pyridines > 1049120-92-4
1049120-92-4 | 2-Phenyl-2h,6h,7h-pyrazolo[3,4-d]pyridazin-7-one
CAS No: 1049120-92-4 Catalog No: AG00HAGF MDL No:MFCD11559271
Product Description
Catalog Number:
AG00HAGF
Chemical Name:
2-Phenyl-2h,6h,7h-pyrazolo[3,4-d]pyridazin-7-one
CAS Number:
1049120-92-4
Molecular Formula:
C11H8N4O
Molecular Weight:
212.2074
MDL Number:
MFCD11559271
IUPAC Name:
2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
InChI:
InChI=1S/C11H8N4O/c16-11-10-8(6-12-13-11)7-15(14-10)9-4-2-1-3-5-9/h1-7H,(H,13,16)
InChI Key:
DFBBAANEEGYHJD-UHFFFAOYSA-N
SMILES:
O=c1[nH]ncc2c1nn(c2)c1ccccc1
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.07g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.212g/mol
Monoisotopic Mass:
212.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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