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101339-72-4 | Butane, 1-bromo-4-(2-propyn-1-yloxy)-
CAS No: 101339-72-4 Catalog No: AG000496 MDL No:
Product Description
Catalog Number:
AG000496
Chemical Name:
Butane, 1-bromo-4-(2-propyn-1-yloxy)-
CAS Number:
101339-72-4
Molecular Formula:
C7H11BrO
Molecular Weight:
191.0656
IUPAC Name:
1-bromo-4-prop-2-ynoxybutane
InChI:
InChI=1S/C7H11BrO/c1-2-6-9-7-4-3-5-8/h1H,3-7H2
InChI Key:
RWSPVSSMYPMYEG-UHFFFAOYSA-N
SMILES:
BrCCCCOCC#C
Properties
Complexity:
92.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.999g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.068g/mol
Monoisotopic Mass:
189.999g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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