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116452-12-1 | 2H-Pyran, 2-[(13-bromotridecyl)oxy]tetrahydro-
CAS No: 116452-12-1 Catalog No: AG000CJE MDL No:
Product Description
Catalog Number:
AG000CJE
Chemical Name:
2H-Pyran, 2-[(13-bromotridecyl)oxy]tetrahydro-
CAS Number:
116452-12-1
Molecular Formula:
C18H35BrO2
Molecular Weight:
363.3733
IUPAC Name:
2-(13-bromotridecoxy)oxane
InChI:
InChI=1S/C18H35BrO2/c19-15-11-8-6-4-2-1-3-5-7-9-12-16-20-18-14-10-13-17-21-18/h18H,1-17H2
InChI Key:
HEZZOESFSODHHV-UHFFFAOYSA-N
SMILES:
BrCCCCCCCCCCCCCOC1CCCCO1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.182g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.38g/mol
Monoisotopic Mass:
362.182g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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