Benzoic acid, 4-bromo-2,6-dimethyl-, methyl ester


Chemical Name: Benzoic acid, 4-bromo-2,6-dimethyl-, methyl ester
CAS Number: 90841-46-6
Product Number: AG00IGB9(AGN-PC-03ZL83)
Synonyms:
MDL No:
Molecular Formula: C10H11BrO2
Molecular Weight: 243.0971

Identification/Properties


Properties
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
243.1g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
241.994g/mol
Monoisotopic Mass:
241.994g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
181
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
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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