Home Other Building Blocks Benzoic acid, 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester

Benzoic acid, 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester

CAS No.:
1351501-00-2
Catalog Number:
AG00A00F
Molecular Formula:
C17H24BFO4
Molecular Weight:
322.1795
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$323
- +
1g
95%
1 week
United States
$941
- +
5g
95%
1 week
United States
$3285
- +
Product Description
Catalog Number:
AG00A00F
Chemical Name:
Benzoic acid, 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
CAS Number:
1351501-00-2
Molecular Formula:
C17H24BFO4
Molecular Weight:
322.1795
MDL Number:
MFCD22494336
IUPAC Name:
tert-butyl 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C17H24BFO4/c1-15(2,3)21-14(20)12-9-8-11(10-13(12)19)18-22-16(4,5)17(6,7)23-18/h8-10H,1-7H3
InChI Key:
UCAWNIUKQRGUGN-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1F)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Complexity:
442  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.175g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.183g/mol
Monoisotopic Mass:
322.175g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties