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30866-57-0 | 1,3,5-Pentanetrione, 1-(2-bromophenyl)-5-phenyl-
CAS No: 30866-57-0 Catalog No: AG0031IC MDL No:
Product Description
Catalog Number:
AG0031IC
Chemical Name:
1,3,5-Pentanetrione, 1-(2-bromophenyl)-5-phenyl-
CAS Number:
30866-57-0
Molecular Formula:
C17H13BrO3
Molecular Weight:
345.1873
IUPAC Name:
1-(2-bromophenyl)-5-phenylpentane-1,3,5-trione
InChI:
InChI=1S/C17H13BrO3/c18-15-9-5-4-8-14(15)17(21)11-13(19)10-16(20)12-6-2-1-3-7-12/h1-9H,10-11H2
InChI Key:
CUFSGLPMXNBLTM-UHFFFAOYSA-N
SMILES:
O=C(CC(=O)c1ccccc1Br)CC(=O)c1ccccc1
NSC Number:
92958
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.005g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.192g/mol
Monoisotopic Mass:
344.005g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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