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1378451-55-8 | 4(3H)-Quinazolinone, 2-amino-7-fluoro-
CAS No: 1378451-55-8 Catalog No: AG0013X9 MDL No:
Product Description
Catalog Number:
AG0013X9
Chemical Name:
4(3H)-Quinazolinone, 2-amino-7-fluoro-
CAS Number:
1378451-55-8
Molecular Formula:
C8H6FN3O
Molecular Weight:
179.1511
IUPAC Name:
2-amino-7-fluoro-3H-quinazolin-4-one
InChI:
InChI=1S/C8H6FN3O/c9-4-1-2-5-6(3-4)11-8(10)12-7(5)13/h1-3H,(H3,10,11,12,13)
InChI Key:
IRBJUDZHLBICJG-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)nc([nH]c2=O)N
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.154g/mol
Monoisotopic Mass:
179.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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