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251468-84-5 | "1-(4-bromophenyl)-1,3-diazinane-2,4,6-trione"
CAS No: 251468-84-5 Catalog No: AG01FN7J MDL No:MFCD00552518
Product Description
Catalog Number:
AG01FN7J
Chemical Name:
"1-(4-bromophenyl)-1,3-diazinane-2,4,6-trione"
CAS Number:
251468-84-5
Molecular Formula:
C10H7BrN2O3
Molecular Weight:
283.0782
MDL Number:
MFCD00552518
IUPAC Name:
1-(4-bromophenyl)-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C10H7BrN2O3/c11-6-1-3-7(4-2-6)13-9(15)5-8(14)12-10(13)16/h1-4H,5H2,(H,12,14,16)
InChI Key:
XTOPUPLVLBJMJL-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)N(C(=O)N1)c1ccc(cc1)Br
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.964g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.081g/mol
Monoisotopic Mass:
281.964g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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