AG01EHFS

Name: 4-(Piperidin-1-ylsulfonyl)-2-trifluoromethylphenylboronic acid
Brand: Angene Chemical
SKU: AG01EHFS

2096339-82-9 | 4-(Piperidin-1-ylsulfonyl)-2-trifluoromethylphenylboronic acid

AG01EHFS

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CAS Number	2096339-82-9
Catalog Number	AG01EHFS
Chemical Name	4-(Piperidin-1-ylsulfonyl)-2-trifluoromethylphenylboronic acid
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
MDL Number	MFCD18783153
Molecular Formula	C12H15BF3NO4S
Molecular Weight	337.1230
SMILES	OB(C1=CC=C(S(=O)(N2CCCCC2)=O)C=C1C(F)(F)F)O
Synonyms	4-(PIPERIDIN-1-YLSULFONYL)-2-TRIFLUOROMETHYLPHENYLBORONIC ACID, 2096339-82-9, (4-(Piperidin-1-ylsulfonyl)-2-(trifluoromethyl)phenyl)boronic acid, MFCD18783153, ZINC169934958, na,

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

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited