2-(4-bromo-2-methoxyphenyl)acetic acid


Chemical Name: 2-(4-bromo-2-methoxyphenyl)acetic acid
CAS Number: 1026089-09-7
Product Number: AG0007W7(AGN-PC-09ROGO)
Synonyms:
MDL No:
Molecular Formula: C9H9BrO3
Molecular Weight: 245.0700

Identification/Properties


Computed Properties
Molecular Weight:
245.072g/mol
XLogP3:
2
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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