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Home > Boronic Acids > 1072945-64-2
1072945-64-2 | (3-(Propylsulfonamido)phenyl)boronic acid
CAS No: 1072945-64-2 Catalog No: AG008526 MDL No:MFCD10699610
Product Description
Catalog Number:
AG008526
Chemical Name:
(3-(Propylsulfonamido)phenyl)boronic acid
CAS Number:
1072945-64-2
Molecular Formula:
C9H14BNO4S
Molecular Weight:
243.0878
MDL Number:
MFCD10699610
IUPAC Name:
[3-(propylsulfonylamino)phenyl]boronic acid
InChI:
InChI=1S/C9H14BNO4S/c1-2-6-16(14,15)11-9-5-3-4-8(7-9)10(12)13/h3-5,7,11-13H,2,6H2,1H3
InChI Key:
JZIHQVMLJAJFFZ-UHFFFAOYSA-N
SMILES:
CCCS(=O)(=O)Nc1cccc(c1)B(O)O
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
243.084g/mol
Monoisotopic Mass:
243.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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