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Home > Fluorides > 1242156-59-7
1242156-59-7 | 1(2H)-Phthalazinone, 6-(1,1-dimethylethyl)-8-fluoro-
CAS No: 1242156-59-7 Catalog No: AG000LOY MDL No:MFCD23099569
Product Description
Catalog Number:
AG000LOY
Chemical Name:
1(2H)-Phthalazinone, 6-(1,1-dimethylethyl)-8-fluoro-
CAS Number:
1242156-59-7
Molecular Formula:
C12H13FN2O
Molecular Weight:
220.2428
MDL Number:
MFCD23099569
IUPAC Name:
6-tert-butyl-8-fluoro-2H-phthalazin-1-one
InChI:
InChI=1S/C12H13FN2O/c1-12(2,3)8-4-7-6-14-15-11(16)10(7)9(13)5-8/h4-6H,1-3H3,(H,15,16)
InChI Key:
UQLKXNSVRRFDGE-UHFFFAOYSA-N
SMILES:
Fc1cc(cc2c1c(=O)[nH]nc2)C(C)(C)C
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.247g/mol
Monoisotopic Mass:
220.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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