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


Chemical Name: 2H-1-Benzopyran-3-carboxylic acid, 6-bromo-2-oxo-
CAS Number: 2199-87-3
Product Number: AG003N4P(AGN-PC-0JV1OK)
Synonyms:
MDL No:
Molecular Formula: C10H5BrO4
Molecular Weight: 269.0483

Identification/Properties


Properties
MP:
195-198 °C(lit.)
BP:
439°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Solubility:
DMSO: soluble10mg/mL, clear
Computed Properties
Molecular Weight:
269.05g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
267.937g/mol
Monoisotopic Mass:
267.937g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
336
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:
H315-H319
Precautionary Statements:
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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