Butane, 1-bromo-4-methoxy-


Chemical Name: Butane, 1-bromo-4-methoxy-
CAS Number: 4457-67-4
Product Number: AG0071KB(AGN-PC-0JS9W1)
Synonyms:
MDL No:
Molecular Formula: C5H11BrO
Molecular Weight: 167.0442

Identification/Properties


Computed Properties
Molecular Weight:
167.046g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
4
Exact Mass:
165.999g/mol
Monoisotopic Mass:
165.999g/mol
Topological Polar Surface Area:
9.2A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
31.3
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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