Benzoic acid, 5-bromo-2-hydroxy-4-methoxy-


Chemical Name: Benzoic acid, 5-bromo-2-hydroxy-4-methoxy-
CAS Number: 98437-41-3
Product Number: AG003MH8(AGN-PC-00UQG2)
Synonyms:
MDL No:
Molecular Formula: C8H7BrO4
Molecular Weight: 247.0428

Identification/Properties


Computed Properties
Molecular Weight:
247.044g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
245.953g/mol
Monoisotopic Mass:
245.953g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
13
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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