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14420-47-4 | 2H-Pyran, 2-[(3-bromo-2-propyn-1-yl)oxy]tetrahydro-
CAS No: 14420-47-4 Catalog No: AG001J49 MDL No:
Product Description
Catalog Number:
AG001J49
Chemical Name:
2H-Pyran, 2-[(3-bromo-2-propyn-1-yl)oxy]tetrahydro-
CAS Number:
14420-47-4
Molecular Formula:
C8H11BrO2
Molecular Weight:
219.0757
IUPAC Name:
2-(3-bromoprop-2-ynoxy)oxane
InChI:
InChI=1S/C8H11BrO2/c9-5-3-7-11-8-4-1-2-6-10-8/h8H,1-2,4,6-7H2
InChI Key:
ZGTMKRFFNZOFAL-UHFFFAOYSA-N
SMILES:
BrC#CCOC1CCCCO1
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.994g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.078g/mol
Monoisotopic Mass:
217.994g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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