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Home > Fluorides > 1239964-17-0
1239964-17-0 | Benzoic acid, 3,5-difluoro-4-(hydroxymethyl)-, 1,1-dimethylethyl ester
CAS No: 1239964-17-0 Catalog No: AG000LCE MDL No:
Product Description
Catalog Number:
AG000LCE
Chemical Name:
Benzoic acid, 3,5-difluoro-4-(hydroxymethyl)-, 1,1-dimethylethyl ester
CAS Number:
1239964-17-0
Molecular Formula:
C12H14F2O3
Molecular Weight:
244.2346
IUPAC Name:
tert-butyl 3,5-difluoro-4-(hydroxymethyl)benzoate
InChI:
InChI=1S/C12H14F2O3/c1-12(2,3)17-11(16)7-4-9(13)8(6-15)10(14)5-7/h4-5,15H,6H2,1-3H3
InChI Key:
UQXHOULFCLJBCV-UHFFFAOYSA-N
SMILES:
OCc1c(F)cc(cc1F)C(=O)OC(C)(C)C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.091g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.238g/mol
Monoisotopic Mass:
244.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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