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Home > Boronic Acids > 913835-89-9
913835-89-9 | (4-(N-Cyclopropyl-N-(4-methoxybenzyl)sulfamoyl)phenyl)boronic acid
CAS No: 913835-89-9 Catalog No: AG006NKB MDL No:MFCD09027226
Product Description
Catalog Number:
AG006NKB
Chemical Name:
(4-(N-Cyclopropyl-N-(4-methoxybenzyl)sulfamoyl)phenyl)boronic acid
CAS Number:
913835-89-9
Molecular Formula:
C17H20BNO5S
Molecular Weight:
361.2204
MDL Number:
MFCD09027226
IUPAC Name:
[4-[cyclopropyl-[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]boronic acid
InChI:
InChI=1S/C17H20BNO5S/c1-24-16-8-2-13(3-9-16)12-19(15-6-7-15)25(22,23)17-10-4-14(5-11-17)18(20)21/h2-5,8-11,15,20-21H,6-7,12H2,1H3
InChI Key:
BMBKRBBFPKRYSF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CN(S(=O)(=O)c1ccc(cc1)B(O)O)C1CC1
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.116g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
361.219g/mol
Monoisotopic Mass:
361.116g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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