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Home > Boronic Acids > 1333122-75-0
1333122-75-0 | Benzoic acid, 4,5-difluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS No: 1333122-75-0 Catalog No: AG0014M7 MDL No:MFCD13176531
Product Description
Catalog Number:
AG0014M7
Chemical Name:
Benzoic acid, 4,5-difluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS Number:
1333122-75-0
Molecular Formula:
C14H17BF2O4
Molecular Weight:
298.0902
MDL Number:
MFCD13176531
IUPAC Name:
methyl 4,5-difluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C14H17BF2O4/c1-13(2)14(3,4)21-15(20-13)9-7-11(17)10(16)6-8(9)12(18)19-5/h6-7H,1-5H3
InChI Key:
JFKWYMUPUWCUSK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)c(cc1B1OC(C(O1)(C)C)(C)C)F
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.119g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.093g/mol
Monoisotopic Mass:
298.119g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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