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114212-23-6 | 2H-Pyran, 2-(2-bromo-4-methylphenoxy)tetrahydro-
CAS No: 114212-23-6 Catalog No: AG000ATC MDL No:
Product Description
Catalog Number:
AG000ATC
Chemical Name:
2H-Pyran, 2-(2-bromo-4-methylphenoxy)tetrahydro-
CAS Number:
114212-23-6
Molecular Formula:
C12H15BrO2
Molecular Weight:
271.1503
IUPAC Name:
2-(2-bromo-4-methylphenoxy)oxane
InChI:
InChI=1S/C12H15BrO2/c1-9-5-6-11(10(13)8-9)15-12-4-2-3-7-14-12/h5-6,8,12H,2-4,7H2,1H3
InChI Key:
RMPVKDAXBCLEHT-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)Br)OC1CCCCO1
Properties
Complexity:
198
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:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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