Benzoic acid, 4-bromo-2-methoxy-, methyl ester


Chemical Name: Benzoic acid, 4-bromo-2-methoxy-, methyl ester
CAS Number: 139102-34-4
Product Number: AG001A9I(AGN-PC-003V5Y)
Synonyms:
MDL No: MFCD06797867
Molecular Formula: C9H9BrO3
Molecular Weight: 245.0700

Identification/Properties


Computed Properties
Molecular Weight:
245.072g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
243.974g/mol
Monoisotopic Mass:
243.974g/mol
Topological Polar Surface Area:
35.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
184
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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