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Home > Boronic Acids > 1072945-66-4
1072945-66-4 | 4-(Butylsulfonamido)phenylboronic acid
CAS No: 1072945-66-4 Catalog No: AG003K6Q MDL No:MFCD10699612
Product Description
Catalog Number:
AG003K6Q
Chemical Name:
4-(Butylsulfonamido)phenylboronic acid
CAS Number:
1072945-66-4
Molecular Formula:
C10H16BNO4S
Molecular Weight:
257.1143
MDL Number:
MFCD10699612
IUPAC Name:
[4-(butylsulfonylamino)phenyl]boronic acid
InChI:
InChI=1S/C10H16BNO4S/c1-2-3-8-17(15,16)12-10-6-4-9(5-7-10)11(13)14/h4-7,12-14H,2-3,8H2,1H3
InChI Key:
GFVQWMXOLYHARX-UHFFFAOYSA-N
SMILES:
CCCCS(=O)(=O)Nc1ccc(cc1)B(O)O
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.089g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
257.111g/mol
Monoisotopic Mass:
257.089g/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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