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147006-47-1 | 4(3H)-Quinazolinone, 5-bromo-
CAS No: 147006-47-1 Catalog No: AG001EIU MDL No:MFCD09954863
Product Description
Catalog Number:
AG001EIU
Chemical Name:
4(3H)-Quinazolinone, 5-bromo-
CAS Number:
147006-47-1
Molecular Formula:
C8H5BrN2O
Molecular Weight:
225.0421
MDL Number:
MFCD09954863
IUPAC Name:
5-bromo-3H-quinazolin-4-one
InChI:
InChI=1S/C8H5BrN2O/c9-5-2-1-3-6-7(5)8(12)11-4-10-6/h1-4H,(H,10,11,12)
InChI Key:
QGHJLGZHULRQAJ-UHFFFAOYSA-N
SMILES:
Brc1cccc2c1c(=O)[nH]cn2
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.959g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.045g/mol
Monoisotopic Mass:
223.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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