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Home > Boronic Acids > 2096339-82-9
2096339-82-9 | 4-(Piperidin-1-ylsulfonyl)-2-trifluoromethylphenylboronic acid
CAS No: 2096339-82-9 Catalog No: AG01EHFS MDL No:MFCD18783153
Product Description
Catalog Number:
AG01EHFS
Chemical Name:
4-(Piperidin-1-ylsulfonyl)-2-trifluoromethylphenylboronic acid
CAS Number:
2096339-82-9
MDL Number:
MFCD18783153
IUPAC Name:
[4-piperidin-1-ylsulfonyl-2-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C12H15BF3NO4S/c14-12(15,16)10-8-9(4-5-11(10)13(18)19)22(20,21)17-6-2-1-3-7-17/h4-5,8,18-19H,1-3,6-7H2
InChI Key:
NZVMEYITTREHFC-UHFFFAOYSA-N
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.077g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
337.12g/mol
Monoisotopic Mass:
337.077g/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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