Benzoic acid, 3-bromo-5-(hydroxymethyl)-, methyl ester


Chemical Name: Benzoic acid, 3-bromo-5-(hydroxymethyl)-, methyl ester
CAS Number: 307353-32-8
Product Number: AG00313E(AGN-PC-007H1G)
Synonyms:
MDL No:
Molecular Formula: C9H9BrO3
Molecular Weight: 245.0700

Identification/Properties


Computed Properties
Molecular Weight:
245.072g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
243.974g/mol
Monoisotopic Mass:
243.974g/mol
Topological Polar Surface Area:
46.5A^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

Safety Information


NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback