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883558-12-1 | 2H-1-BENZOPYRAN-2-ONE, 7-(ACETYLOXY)-3-[2,4-BIS(ACETYLOXY)PHENYL]-4-(DIBROMOMETHYL)-
CAS No: 883558-12-1 Catalog No: AG0046RU MDL No:
Product Description
Catalog Number:
AG0046RU
Chemical Name:
2H-1-BENZOPYRAN-2-ONE, 7-(ACETYLOXY)-3-[2,4-BIS(ACETYLOXY)PHENYL]-4-(DIBROMOMETHYL)-
CAS Number:
883558-12-1
Molecular Formula:
C22H16Br2O8
Molecular Weight:
568.1656
IUPAC Name:
[3-(2,4-diacetyloxyphenyl)-4-(dibromomethyl)-2-oxochromen-7-yl] acetate
InChI:
InChI=1S/C22H16Br2O8/c1-10(25)29-13-5-7-16(17(8-13)31-12(3)27)20-19(21(23)24)15-6-4-14(30-11(2)26)9-18(15)32-22(20)28/h4-9,21H,1-3H3
InChI Key:
VLYDIOZDWGRPQP-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc(c(c1)OC(=O)C)c1c(=O)oc2c(c1C(Br)Br)ccc(c2)OC(=O)C
Properties
Complexity:
808
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
567.919g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
568.17g/mol
Monoisotopic Mass:
565.921g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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