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Home > Boronic Acids > 874219-52-0
874219-52-0 | (4-Methoxy-3-(pyrrolidin-1-ylsulfonyl);phenyl);boronic acid
CAS No: 874219-52-0 Catalog No: AG004G70 MDL No:MFCD08235070
Product Description
Catalog Number:
AG004G70
Chemical Name:
(4-Methoxy-3-(pyrrolidin-1-ylsulfonyl);phenyl);boronic acid
CAS Number:
874219-52-0
Molecular Formula:
C11H16BNO5S
Molecular Weight:
285.1244
MDL Number:
MFCD08235070
IUPAC Name:
(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)boronic acid
InChI:
InChI=1S/C11H16BNO5S/c1-18-10-5-4-9(12(14)15)8-11(10)19(16,17)13-6-2-3-7-13/h4-5,8,14-15H,2-3,6-7H2,1H3
InChI Key:
CMUQRJVOEZOCJL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1S(=O)(=O)N1CCCC1)B(O)O
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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