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749923-92-0 | 1,3,5-Pentanetrione, 5-(4-bromophenyl)-2-diazo-1-phenyl-
CAS No: 749923-92-0 Catalog No: AG0057G2 MDL No:
Product Description
Catalog Number:
AG0057G2
Chemical Name:
1,3,5-Pentanetrione, 5-(4-bromophenyl)-2-diazo-1-phenyl-
CAS Number:
749923-92-0
Molecular Formula:
C17H11BrN2O3
Molecular Weight:
371.1848
IUPAC Name:
5-(4-bromophenyl)-2-diazo-1-phenylpentane-1,3,5-trione
InChI:
InChI=1S/C17H11BrN2O3/c18-13-8-6-11(7-9-13)14(21)10-15(22)16(20-19)17(23)12-4-2-1-3-5-12/h1-9H,10H2
InChI Key:
JQNQSMJPXKDXLQ-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=C(C(=O)c1ccccc1)C(=O)CC(=O)c1ccc(cc1)Br
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.995g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.19g/mol
Monoisotopic Mass:
369.995g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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