Benzoic acid, 2-bromo-6-chloro-, methyl ester


Chemical Name: Benzoic acid, 2-bromo-6-chloro-, methyl ester
CAS Number: 685892-23-3
Product Number: AG00FCD7(AGN-PC-0KKNIC)
Synonyms:
MDL No:
Molecular Formula: C8H6BrClO2
Molecular Weight: 249.4890

Identification/Properties


Computed Properties
Molecular Weight:
249.488g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
247.924g/mol
Monoisotopic Mass:
247.924g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
174
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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