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1245649-58-4 | 1H-Benzimidazole, 6-bromo-1-(tetrahydro-2H-pyran-4-yl)-
CAS No: 1245649-58-4 Catalog No: AG000MD9 MDL No:MFCD18072651
Product Description
Catalog Number:
AG000MD9
Chemical Name:
1H-Benzimidazole, 6-bromo-1-(tetrahydro-2H-pyran-4-yl)-
CAS Number:
1245649-58-4
Molecular Formula:
C12H13BrN2O
Molecular Weight:
281.1484
MDL Number:
MFCD18072651
IUPAC Name:
6-bromo-1-(oxan-4-yl)benzimidazole
InChI:
InChI=1S/C12H13BrN2O/c13-9-1-2-11-12(7-9)15(8-14-11)10-3-5-16-6-4-10/h1-2,7-8,10H,3-6H2
InChI Key:
FFOAWGHMBUULGH-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)n(cn2)C1CCOCC1
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.021g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.153g/mol
Monoisotopic Mass:
280.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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