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88494-04-6 | 2H-Pyran, 2-(4-bromo-3-methylbutoxy)tetrahydro-
CAS No: 88494-04-6 Catalog No: AG0049QB MDL No:
Product Description
Catalog Number:
AG0049QB
Chemical Name:
2H-Pyran, 2-(4-bromo-3-methylbutoxy)tetrahydro-
CAS Number:
88494-04-6
Molecular Formula:
C10H19BrO2
Molecular Weight:
251.1607
IUPAC Name:
2-(4-bromo-3-methylbutoxy)oxane
InChI:
InChI=1S/C10H19BrO2/c1-9(8-11)5-7-13-10-4-2-3-6-12-10/h9-10H,2-8H2,1H3
InChI Key:
MBTNURCZPGYOPB-UHFFFAOYSA-N
SMILES:
BrCC(CCOC1CCCCO1)C
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.057g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.164g/mol
Monoisotopic Mass:
250.057g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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