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1251337-10-6 | 2H-Pyran, 4-[(3-bromophenoxy)methyl]tetrahydro-
CAS No: 1251337-10-6 Catalog No: AG000N8E MDL No:MFCD16745760
Product Description
Catalog Number:
AG000N8E
Chemical Name:
2H-Pyran, 4-[(3-bromophenoxy)methyl]tetrahydro-
CAS Number:
1251337-10-6
Molecular Formula:
C12H15BrO2
Molecular Weight:
271.1503
MDL Number:
MFCD16745760
IUPAC Name:
4-[(3-bromophenoxy)methyl]oxane
InChI:
InChI=1S/C12H15BrO2/c13-11-2-1-3-12(8-11)15-9-10-4-6-14-7-5-10/h1-3,8,10H,4-7,9H2
InChI Key:
KLIQLDNGLODPES-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)OCC1CCOCC1
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.154g/mol
Monoisotopic Mass:
270.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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