200,000+ products from a single source!
sales@angenechem.com
40995-47-9 | 1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyridazin-4-one
CAS No: 40995-47-9 Catalog No: AG01C1TK MDL No:MFCD29054893
Product Description
Catalog Number:
AG01C1TK
Chemical Name:
1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyridazin-4-one
CAS Number:
40995-47-9
Molecular Formula:
C11H8N4O
Molecular Weight:
212.2074
MDL Number:
MFCD29054893
IUPAC Name:
1-phenyl-5H-pyrazolo[3,4-d]pyridazin-4-one
InChI:
InChI=1S/C11H8N4O/c16-11-9-6-13-15(10(9)7-12-14-11)8-4-2-1-3-5-8/h1-7H,(H,14,16)
InChI Key:
ZSDCDEDITAIPBR-UHFFFAOYSA-N
SMILES:
O=c1[nH]ncc2c1cnn2c1ccccc1
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.