Home Halogens tert-butyl 5-bromo-2-fluorobenzoate

tert-butyl 5-bromo-2-fluorobenzoate

CAS No.:
889858-08-6
Catalog Number:
AG01A70A
Molecular Formula:
C11H12BrFO2
Molecular Weight:
275.1142
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Product Description
Catalog Number:
AG01A70A
Chemical Name:
tert-butyl 5-bromo-2-fluorobenzoate
CAS Number:
889858-08-6
Molecular Formula:
C11H12BrFO2
Molecular Weight:
275.1142
MDL Number:
MFCD19026473
IUPAC Name:
tert-butyl 5-bromo-2-fluorobenzoate
InChI:
InChI=1S/C11H12BrFO2/c1-11(2,3)15-10(14)8-6-7(12)4-5-9(8)13/h4-6H,1-3H3
InChI Key:
RGUSYURXTLDCDB-UHFFFAOYSA-N
SMILES:
O=C(c1cc(Br)ccc1F)OC(C)(C)C
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.117g/mol
Monoisotopic Mass:
274g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties