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100713-33-5 | 1,3-Benzodioxole, 5-bromo-6-[[(tetrahydro-2H-pyran-2-yl)oxy]methyl]-
CAS No: 100713-33-5 Catalog No: AG0002PO MDL No:
Product Description
Catalog Number:
AG0002PO
Chemical Name:
1,3-Benzodioxole, 5-bromo-6-[[(tetrahydro-2H-pyran-2-yl)oxy]methyl]-
CAS Number:
100713-33-5
Molecular Formula:
C13H15BrO4
Molecular Weight:
315.1598
IUPAC Name:
5-bromo-6-(oxan-2-yloxymethyl)-1,3-benzodioxole
InChI:
InChI=1S/C13H15BrO4/c14-10-6-12-11(17-8-18-12)5-9(10)7-16-13-3-1-2-4-15-13/h5-6,13H,1-4,7-8H2
InChI Key:
PJDCFNHTLBPFMX-UHFFFAOYSA-N
SMILES:
Brc1cc2OCOc2cc1COC1CCCCO1
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.015g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.163g/mol
Monoisotopic Mass:
314.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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