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88404-80-2

88404-80-2 | 2H-Pyran, 4-bromo-2,6-diethyltetrahydro-

CAS No: 88404-80-2 Catalog No: AG008D23 MDL No:

Product Description

Catalog Number:
AG008D23
Chemical Name:
2H-Pyran, 4-bromo-2,6-diethyltetrahydro-
CAS Number:
88404-80-2
Molecular Formula:
C9H17BrO
Molecular Weight:
221.1347
IUPAC Name:
4-bromo-2,6-diethyloxane
InChI:
InChI=1S/C9H17BrO/c1-3-8-5-7(10)6-9(4-2)11-8/h7-9H,3-6H2,1-2H3
InChI Key:
YJCZKZKLUYFCSI-UHFFFAOYSA-N
SMILES:
CCC1CC(Br)CC(O1)CC

Properties

Complexity:
104  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.046g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.138g/mol
Monoisotopic Mass:
220.046g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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