Home Halogens 5-[(3-bromophenyl)sulfamoyl]-2-fluorobenzoic acid

5-[(3-bromophenyl)sulfamoyl]-2-fluorobenzoic acid

CAS No.:
1030694-72-4
Catalog Number:
AG01C4H8
Molecular Formula:
C13H9BrFNO4S
Molecular Weight:
374.1823
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Product Description
Catalog Number:
AG01C4H8
Chemical Name:
5-[(3-bromophenyl)sulfamoyl]-2-fluorobenzoic acid
CAS Number:
1030694-72-4
Molecular Formula:
C13H9BrFNO4S
Molecular Weight:
374.1823
MDL Number:
MFCD10593020
IUPAC Name:
5-[(3-bromophenyl)sulfamoyl]-2-fluorobenzoic acid
InChI:
InChI=1S/C13H9BrFNO4S/c14-8-2-1-3-9(6-8)16-21(19,20)10-4-5-12(15)11(7-10)13(17)18/h1-7,16H,(H,17,18)
InChI Key:
PXXAMFCNVBFKKK-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)NS(=O)(=O)c1ccc(c(c1)C(=O)O)F
Properties
Complexity:
481  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.942g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
374.18g/mol
Monoisotopic Mass:
372.942g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties