Home Other Building Blocks 6-fluoro-1,2-dihydrophthalazin-1-one

6-fluoro-1,2-dihydrophthalazin-1-one

CAS No.:
23928-51-0
Catalog Number:
AG01BPMH
Molecular Formula:
C8H5FN2O
Molecular Weight:
164.1365
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Product Description
Catalog Number:
AG01BPMH
Chemical Name:
6-fluoro-1,2-dihydrophthalazin-1-one
CAS Number:
23928-51-0
Molecular Formula:
C8H5FN2O
Molecular Weight:
164.1365
MDL Number:
MFCD22394247
IUPAC Name:
6-fluoro-2H-phthalazin-1-one
InChI:
InChI=1S/C8H5FN2O/c9-6-1-2-7-5(3-6)4-10-11-8(7)12/h1-4H,(H,11,12)
InChI Key:
OHOASKMOTVHBHO-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)cn[nH]c2=O
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.039g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.139g/mol
Monoisotopic Mass:
164.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties