methyl 4-bromo-1,3-benzoxazole-2-carboxylate


Chemical Name: methyl 4-bromo-1,3-benzoxazole-2-carboxylate
CAS Number: 954239-74-8
Product Number: AG0060AE(AGN-PC-09RRFA)
Synonyms:
MDL No:
Molecular Formula: C9H6BrNO3
Molecular Weight: 256.0528

Identification/Properties


Properties
BP:
330.4±34.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
256.055g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
254.953g/mol
Monoisotopic Mass:
254.953g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
236
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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