2-Benzofurancarboxylic acid, 5-bromo-, ethyl ester


Chemical Name: 2-Benzofurancarboxylic acid, 5-bromo-, ethyl ester
CAS Number: 84102-69-2
Product Number: AG0034VN(AGN-PC-0JVNO9)
Synonyms:
MDL No:
Molecular Formula: C11H9BrO3
Molecular Weight: 269.0914

Identification/Properties


Properties
MP:
60-62°
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
269.094g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
267.974g/mol
Monoisotopic Mass:
267.974g/mol
Topological Polar Surface Area:
39.4A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
244
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-H312-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


PNMR/Ethyl5-bromobenzofuran-2-carboxyl-84102-69-2-hnmr.pdf

Other Analytical Data


POTHER/Ethyl5-bromobenzofuran-2-carboxyl-84102-69-2-hplc.pdf

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