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Home > Boronic Acids > 874219-48-4
874219-48-4 | (4-(N-(3-Chloropropyl);sulfamoyl);phenyl);boronic acid
CAS No: 874219-48-4 Catalog No: AG008DKI MDL No:MFCD08235065
Product Description
Catalog Number:
AG008DKI
Chemical Name:
(4-(N-(3-Chloropropyl);sulfamoyl);phenyl);boronic acid
CAS Number:
874219-48-4
Molecular Formula:
C9H13BClNO4S
Molecular Weight:
277.5328
MDL Number:
MFCD08235065
IUPAC Name:
[4-(3-chloropropylsulfamoyl)phenyl]boronic acid
InChI:
InChI=1S/C9H13BClNO4S/c11-6-1-7-12-17(15,16)9-4-2-8(3-5-9)10(13)14/h2-5,12-14H,1,6-7H2
InChI Key:
GMRSAAZITPFUNA-UHFFFAOYSA-N
SMILES:
ClCCCNS(=O)(=O)c1ccc(cc1)B(O)O
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.035g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
277.526g/mol
Monoisotopic Mass:
277.035g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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