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Home > Boronic Acids > 874459-65-1

874459-65-1

874459-65-1 | (3-(N-isopropylsulfamoyl)-4-methoxyphenyl)boronic acid

CAS No: 874459-65-1 Catalog No: AG01DD4A MDL No:MFCD28400502

Product Description

Catalog Number:
AG01DD4A
Chemical Name:
(3-(N-isopropylsulfamoyl)-4-methoxyphenyl)boronic acid
CAS Number:
874459-65-1
Molecular Formula:
C10H16BNO5S
Molecular Weight:
273.1137
MDL Number:
MFCD28400502
IUPAC Name:
[4-methoxy-3-(propan-2-ylsulfamoyl)phenyl]boronic acid
InChI:
InChI=1S/C10H16BNO5S/c1-7(2)12-18(15,16)10-6-8(11(13)14)4-5-9(10)17-3/h4-7,12-14H,1-3H3
InChI Key:
PXZRYJMVGOLEPD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1S(=O)(=O)NC(C)C)B(O)O

Properties

Complexity:
354  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.084g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
273.11g/mol
Monoisotopic Mass:
273.084g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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