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Home > Boronic Acids > 1704120-89-7
1704120-89-7 | (3-fluoro-4-((4-Methylpiperidin-1-yl)sulfonyl)phenyl)boronic acid
CAS No: 1704120-89-7 Catalog No: AG00ARAT MDL No:
Product Description
Catalog Number:
AG00ARAT
Chemical Name:
(3-fluoro-4-((4-Methylpiperidin-1-yl)sulfonyl)phenyl)boronic acid
CAS Number:
1704120-89-7
Molecular Formula:
C12H17BFNO4S
Molecular Weight:
301.1421
IUPAC Name:
[3-fluoro-4-(4-methylpiperidin-1-yl)sulfonylphenyl]boronic acid
InChI:
InChI=1S/C12H17BFNO4S/c1-9-4-6-15(7-5-9)20(18,19)12-3-2-10(13(16)17)8-11(12)14/h2-3,8-9,16-17H,4-7H2,1H3
InChI Key:
AOCXMMQNKJDARI-UHFFFAOYSA-N
SMILES:
CC1CCN(CC1)S(=O)(=O)c1ccc(cc1F)B(O)O
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.096g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.139g/mol
Monoisotopic Mass:
301.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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