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Home > Boronic Acids > 1704080-33-0
1704080-33-0 | (2-methoxy-5-(pyrrolidin-1-ylsulfonyl)phenyl)boronic acid
CAS No: 1704080-33-0 Catalog No: AG019ENV MDL No:MFCD28400401
Product Description
Catalog Number:
AG019ENV
Chemical Name:
(2-methoxy-5-(pyrrolidin-1-ylsulfonyl)phenyl)boronic acid
CAS Number:
1704080-33-0
Molecular Formula:
C11H16BNO5S
Molecular Weight:
285.1244
MDL Number:
MFCD28400401
IUPAC Name:
(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)boronic acid
InChI:
InChI=1S/C11H16BNO5S/c1-18-11-5-4-9(8-10(11)12(14)15)19(16,17)13-6-2-3-7-13/h4-5,8,14-15H,2-3,6-7H2,1H3
InChI Key:
PDHQWEQAFBDYGR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1B(O)O)S(=O)(=O)N1CCCC1
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.121g/mol
Monoisotopic Mass:
285.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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