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164387-68-2 | 7H-Furo[3,2-g][1]benzopyran-7-one, 4-bromo-9-(4-bromobutoxy)-
CAS No: 164387-68-2 Catalog No: AG001UU5 MDL No:
Product Description
Catalog Number:
AG001UU5
Chemical Name:
7H-Furo[3,2-g][1]benzopyran-7-one, 4-bromo-9-(4-bromobutoxy)-
CAS Number:
164387-68-2
Molecular Formula:
C15H12Br2O4
Molecular Weight:
416.0614
IUPAC Name:
4-bromo-9-(4-bromobutoxy)furo[3,2-g]chromen-7-one
InChI:
InChI=1S/C15H12Br2O4/c16-6-1-2-7-19-15-13-10(5-8-20-13)12(17)9-3-4-11(18)21-14(9)15/h3-5,8H,1-2,6-7H2
InChI Key:
GJMHPNRIFCQDHX-UHFFFAOYSA-N
SMILES:
BrCCCCOc1c2occc2c(c2c1oc(=O)cc2)Br
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.908g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.065g/mol
Monoisotopic Mass:
413.91g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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