Benzene, 1-bromo-2-butoxy-


Chemical Name: Benzene, 1-bromo-2-butoxy-
CAS Number: 54514-30-6
Product Number: AG00E4CN(AGN-PC-025AHY)
Synonyms:
MDL No:
Molecular Formula: C10H13BrO
Molecular Weight: 229.1136

Identification/Properties


Computed Properties
Molecular Weight:
229.117g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
4
Exact Mass:
228.015g/mol
Monoisotopic Mass:
228.015g/mol
Topological Polar Surface Area:
9.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
116
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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