tert-Butyl 3,5-difluoro-4-formylbenzoate


Chemical Name: tert-Butyl 3,5-difluoro-4-formylbenzoate
CAS Number: 467442-12-2
Product Number: AG00DBSI(AGN-PC-0WAMH8)
Synonyms:
MDL No: MFCD11975649
Molecular Formula: C12H12F2O3
Molecular Weight: 242.2187

Identification/Properties


Computed Properties
Molecular Weight:
242.222g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
242.075g/mol
Monoisotopic Mass:
242.075g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
287
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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