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2246829-52-5 | N-[2-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropanesulfonamide
CAS No: 2246829-52-5 Catalog No: AG00UZDC MDL No:
Product Description
Catalog Number:
AG00UZDC
Chemical Name:
N-[2-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropanesulfonamide
CAS Number:
2246829-52-5
Molecular Formula:
C15H21BFNO4S
Molecular Weight:
341.2059
IUPAC Name:
N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropanesulfonamide
InChI:
InChI=1S/C15H21BFNO4S/c1-14(2)15(3,4)22-16(21-14)10-5-8-13(12(17)9-10)18-23(19,20)11-6-7-11/h5,8-9,11,18H,6-7H2,1-4H3
InChI Key:
SPLQBQLBAPIEOX-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1NS(=O)(=O)C1CC1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.127g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.204g/mol
Monoisotopic Mass:
341.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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