Benzoic acid, 3,4-bis(bromomethyl)-, methyl ester


Chemical Name: Benzoic acid, 3,4-bis(bromomethyl)-, methyl ester
CAS Number: 20896-23-5
Product Number: AG002JZJ(AGN-PC-0KK836)
Synonyms:
MDL No:
Molecular Formula: C10H10Br2O2
Molecular Weight: 321.9932

Identification/Properties


Computed Properties
Molecular Weight:
321.996g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
321.903g/mol
Monoisotopic Mass:
319.905g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
197
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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