2H-1-Benzopyran-3-carboxylic acid, 6-bromo-2-oxo-, ethyl ester


Chemical Name: 2H-1-Benzopyran-3-carboxylic acid, 6-bromo-2-oxo-, ethyl ester
CAS Number: 2199-90-8
Product Number: AG003QD9(AGN-PC-0JV0AX)
Synonyms:
MDL No:
Molecular Formula: C12H9BrO4
Molecular Weight: 297.1015

Identification/Properties


Properties
BP:
426.4°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
297.104g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
295.968g/mol
Monoisotopic Mass:
295.968g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
364
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:
P264-P270-P301+P312-P330
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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