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826992-35-2 | Ethanone, 1-[4-bromo-7-(diphenylmethoxy)-2-benzofuranyl]-
CAS No: 826992-35-2 Catalog No: AG0051VT MDL No:
Product Description
Catalog Number:
AG0051VT
Chemical Name:
Ethanone, 1-[4-bromo-7-(diphenylmethoxy)-2-benzofuranyl]-
CAS Number:
826992-35-2
Molecular Formula:
C23H17BrO3
Molecular Weight:
421.2833
IUPAC Name:
1-(7-benzhydryloxy-4-bromo-1-benzofuran-2-yl)ethanone
InChI:
InChI=1S/C23H17BrO3/c1-15(25)21-14-18-19(24)12-13-20(23(18)27-21)26-22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,22H,1H3
InChI Key:
QLOMOLVUYWJTQI-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc2c(o1)c(ccc2Br)OC(c1ccccc1)c1ccccc1
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.036g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
421.29g/mol
Monoisotopic Mass:
420.036g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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