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1258630-85-1 | 4(3H)-Quinazolinone, 2-amino-8-bromo-
CAS No: 1258630-85-1 Catalog No: AG000OW1 MDL No:
Product Description
Catalog Number:
AG000OW1
Chemical Name:
4(3H)-Quinazolinone, 2-amino-8-bromo-
CAS Number:
1258630-85-1
Molecular Formula:
C8H6BrN3O
Molecular Weight:
240.0567
IUPAC Name:
2-amino-8-bromo-3H-quinazolin-4-one
InChI:
InChI=1S/C8H6BrN3O/c9-5-3-1-2-4-6(5)11-8(10)12-7(4)13/h1-3H,(H3,10,11,12,13)
InChI Key:
KBQNPSNPMMVEHM-UHFFFAOYSA-N
SMILES:
Nc1nc2c(Br)cccc2c(=O)[nH]1
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.969g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.06g/mol
Monoisotopic Mass:
238.969g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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