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10160-25-5 | 2H-Pyran, 2-[(7-bromoheptyl)oxy]tetrahydro-
CAS No: 10160-25-5 Catalog No: AG0004XU MDL No:
Product Description
Catalog Number:
AG0004XU
Chemical Name:
2H-Pyran, 2-[(7-bromoheptyl)oxy]tetrahydro-
CAS Number:
10160-25-5
Molecular Formula:
C12H23BrO2
Molecular Weight:
279.2138
IUPAC Name:
2-(7-bromoheptoxy)oxane
InChI:
InChI=1S/C12H23BrO2/c13-9-5-2-1-3-6-10-14-12-8-4-7-11-15-12/h12H,1-11H2
InChI Key:
IJYBSQFJCPBQEG-UHFFFAOYSA-N
SMILES:
BrCCCCCCCOC1CCCCO1
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.088g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.218g/mol
Monoisotopic Mass:
278.088g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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