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167699-25-4 | Benzoic acid, 2-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)-
CAS No: 167699-25-4 Catalog No: AG001XJ7 MDL No:
Product Description
Catalog Number:
AG001XJ7
Chemical Name:
Benzoic acid, 2-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)-
CAS Number:
167699-25-4
Molecular Formula:
C16H10Br2N2O3
Molecular Weight:
438.0702
IUPAC Name:
2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)benzoic acid
InChI:
InChI=1S/C16H10Br2N2O3/c1-8-19-14-11(6-9(17)7-12(14)18)15(21)20(8)13-5-3-2-4-10(13)16(22)23/h2-7H,1H3,(H,22,23)
InChI Key:
NMUTYAYIELQRSR-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c2c(c1)c(=O)n(c(n2)C)c1ccccc1C(=O)O
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.904g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
438.075g/mol
Monoisotopic Mass:
435.906g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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