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Home > Fluorides > 187805-50-1
187805-50-1 | 4(3H)-Quinazolinone, 8-fluoro-
CAS No: 187805-50-1 Catalog No: AG002GIK MDL No:MFCD09954860
Product Description
Catalog Number:
AG002GIK
Chemical Name:
4(3H)-Quinazolinone, 8-fluoro-
CAS Number:
187805-50-1
Molecular Formula:
C8H5FN2O
Molecular Weight:
164.1365
MDL Number:
MFCD09954860
IUPAC Name:
8-fluoro-3H-quinazolin-4-one
InChI:
InChI=1S/C8H5FN2O/c9-6-3-1-2-5-7(6)10-4-11-8(5)12/h1-4H,(H,10,11,12)
InChI Key:
SMHLOFQPJIEWSB-UHFFFAOYSA-N
SMILES:
Fc1cccc2c1nc[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:
0.8
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