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Home > Fluorides > 1229850-72-9
1229850-72-9 | 2(1H)-Quinazolinone, 7-fluoro-
CAS No: 1229850-72-9 Catalog No: AG000JUX MDL No:
Product Description
Catalog Number:
AG000JUX
Chemical Name:
2(1H)-Quinazolinone, 7-fluoro-
CAS Number:
1229850-72-9
Molecular Formula:
C8H5FN2O
Molecular Weight:
164.1365
IUPAC Name:
7-fluoro-1H-quinazolin-2-one
InChI:
InChI=1S/C8H5FN2O/c9-6-2-1-5-4-10-8(12)11-7(5)3-6/h1-4H,(H,10,11,12)
InChI Key:
ITNQYWXYXMUYHB-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)[nH]c(=O)nc2
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:
2
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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