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1260838-33-2 | Benzoic acid, 4-bromo-2,3,5,6-tetrafluoro-, 1,1-dimethylethyl ester
CAS No: 1260838-33-2 Catalog No: AG000REU MDL No:
Product Description
Catalog Number:
AG000REU
Chemical Name:
Benzoic acid, 4-bromo-2,3,5,6-tetrafluoro-, 1,1-dimethylethyl ester
CAS Number:
1260838-33-2
Molecular Formula:
C11H9BrF4O2
Molecular Weight:
329.0856
IUPAC Name:
tert-butyl 4-bromo-2,3,5,6-tetrafluorobenzoate
InChI:
InChI=1S/C11H9BrF4O2/c1-11(2,3)18-10(17)4-6(13)8(15)5(12)9(16)7(4)14/h1-3H3
InChI Key:
GUIHTSACAQERGF-UHFFFAOYSA-N
SMILES:
O=C(c1c(F)c(F)c(c(c1F)F)Br)OC(C)(C)C
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.972g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.089g/mol
Monoisotopic Mass:
327.972g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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