methyl 3-bromo-4-formylbenzoate


Chemical Name: methyl 3-bromo-4-formylbenzoate
CAS Number: 90484-53-0
Product Number: AG0036YF(AGN-PC-09RZUP)
Synonyms:
MDL No:
Molecular Formula: C9H7BrO3
Molecular Weight: 243.0541

Identification/Properties


Properties
MP:
76.8-77.6℃
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
243.056g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
241.958g/mol
Monoisotopic Mass:
241.958g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
205
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-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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