2-bromo-4-tert-butyl-benzoic acid


Chemical Name: 2-bromo-4-tert-butyl-benzoic acid
CAS Number: 6332-96-3
Product Number: AG00EIEU(AGN-PC-0JOCPI)
Synonyms:
MDL No:
Molecular Formula: C11H13BrO2
Molecular Weight: 257.1237

Identification/Properties


Computed Properties
Molecular Weight:
257.127g/mol
XLogP3:
4.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
256.01g/mol
Monoisotopic Mass:
256.01g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
220
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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