Home Boronic acids (4-(N-cyclopropylsulfaMoyl)-3-fluorophenyl)boronic acid

(4-(N-cyclopropylsulfaMoyl)-3-fluorophenyl)boronic acid

CAS No.:
1704096-55-8
Catalog Number:
AG00ARDM
Molecular Formula:
C9H11BFNO4S
Molecular Weight:
259.0623
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Product Description
Catalog Number:
AG00ARDM
Chemical Name:
(4-(N-cyclopropylsulfaMoyl)-3-fluorophenyl)boronic acid
CAS Number:
1704096-55-8
Molecular Formula:
C9H11BFNO4S
Molecular Weight:
259.0623
MDL Number:
MFCD28805607
IUPAC Name:
[4-(cyclopropylsulfamoyl)-3-fluorophenyl]boronic acid
InChI:
InChI=1S/C9H11BFNO4S/c11-8-5-6(10(13)14)1-4-9(8)17(15,16)12-7-2-3-7/h1,4-5,7,12-14H,2-3H2
InChI Key:
VGJJBKGUWRZZLA-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1S(=O)(=O)NC1CC1)B(O)O
Properties
Complexity:
368  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.049g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
259.058g/mol
Monoisotopic Mass:
259.049g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties