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114703-12-7 | 2,4(1H,3H)-Quinazolinedione, 7-bromo-
CAS No: 114703-12-7 Catalog No: AG000F32 MDL No:MFCD09954848
Product Description
Catalog Number:
AG000F32
Chemical Name:
2,4(1H,3H)-Quinazolinedione, 7-bromo-
CAS Number:
114703-12-7
Molecular Formula:
C8H5BrN2O2
Molecular Weight:
241.0415
MDL Number:
MFCD09954848
IUPAC Name:
7-bromo-1H-quinazoline-2,4-dione
InChI:
InChI=1S/C8H5BrN2O2/c9-4-1-2-5-6(3-4)10-8(13)11-7(5)12/h1-3H,(H2,10,11,12,13)
InChI Key:
AQIDPSGSKHPDAY-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)[nH]c(=O)[nH]c2=O
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.953g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.044g/mol
Monoisotopic Mass:
239.953g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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