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827346-54-3 | 4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-3-bromo-2-phenyl-
CAS No: 827346-54-3 Catalog No: AG004ZPF MDL No:
Product Description
Catalog Number:
AG004ZPF
Chemical Name:
4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-3-bromo-2-phenyl-
CAS Number:
827346-54-3
Molecular Formula:
C19H13BrO6
Molecular Weight:
417.2069
IUPAC Name:
(5-acetyloxy-3-bromo-4-oxo-2-phenylchromen-7-yl) acetate
InChI:
InChI=1S/C19H13BrO6/c1-10(21)24-13-8-14(25-11(2)22)16-15(9-13)26-19(17(20)18(16)23)12-6-4-3-5-7-12/h3-9H,1-2H3
InChI Key:
NPEUMNOJTOMNAA-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cc(OC(=O)C)c2c(c1)oc(c(c2=O)Br)c1ccccc1
Properties
Complexity:
622
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.99g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
417.211g/mol
Monoisotopic Mass:
415.99g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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