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116131-44-3 | 2H-Pyran, 3-(bromomethyl)tetrahydro-
CAS No: 116131-44-3 Catalog No: AG000BPM MDL No:MFCD08235012
Product Description
Catalog Number:
AG000BPM
Chemical Name:
2H-Pyran, 3-(bromomethyl)tetrahydro-
CAS Number:
116131-44-3
Molecular Formula:
C6H11BrO
Molecular Weight:
179.0549
MDL Number:
MFCD08235012
IUPAC Name:
3-(bromomethyl)oxane
InChI:
InChI=1S/C6H11BrO/c7-4-6-2-1-3-8-5-6/h6H,1-5H2
InChI Key:
ZLUWLWXZMXLDGO-UHFFFAOYSA-N
SMILES:
BrCC1CCCOC1
Properties
Complexity:
65.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.999g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.057g/mol
Monoisotopic Mass:
177.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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