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114952-77-1 | 2H-Pyran, 2-[(7-bromo-2-heptyn-1-yl)oxy]tetrahydro-
CAS No: 114952-77-1 Catalog No: AG000FH7 MDL No:
Product Description
Catalog Number:
AG000FH7
Chemical Name:
2H-Pyran, 2-[(7-bromo-2-heptyn-1-yl)oxy]tetrahydro-
CAS Number:
114952-77-1
Molecular Formula:
C12H19BrO2
Molecular Weight:
275.1821
IUPAC Name:
2-(7-bromohept-2-ynoxy)oxane
InChI:
InChI=1S/C12H19BrO2/c13-9-5-2-1-3-6-10-14-12-8-4-7-11-15-12/h12H,1-2,4-5,7-11H2
InChI Key:
NXDSXRANEQGEJW-UHFFFAOYSA-N
SMILES:
BrCCCCC#CCOC1CCCCO1
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.057g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.186g/mol
Monoisotopic Mass:
274.057g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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