AG0007S7

1025719-23-6 | 1-Methyl-3-(trifluoromethyl)pyrazole-5-boronic acid pinacol ester

AG0007S7

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CAS Number	1025719-23-6
Catalog Number	AG0007S7(AGN-PC-07XTDI)
Chemical Name	1-Methyl-3-(trifluoromethyl)pyrazole-5-boronic acid pinacol ester
IUPAC Name	1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazole
InChI	InChI=1S/C11H16BF3N2O2/c1-9(2)10(3,4)19-12(18-9)8-6-7(11(13,14)15)16-17(8)5/h6H,1-5H3
InChI Key	CQKAWCKCEPHXAE-UHFFFAOYSA-N
MDL Number	MFCD12828677
Molecular Formula	C11H16BF3N2O2
Molecular Weight	276.0631
SMILES	FC(C1=NN(C)C(B2OC(C)(C)C(C)(C)O2)=C1)(F)F
Synonyms	1025719-23-6, 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole, 1-METHYL-3-(TRIFLUOROMETHYL)PYRAZOLE-5-BORONIC ACID PINACOL ESTER, 1-Methyl-3-trifluoromethylpyrazole-5-boronic acid pinacol ester, 1-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole, SCHEMBL15635350, CTK4A1242, DTXSID30674177, CQKAWCKCEPHXAE-UHFFFAOYSA-N, 1-Methyl-3-trifluoromethylpyrazole-5-boronic acid, pinacol ester, ANW-52657, MFCD12022323, STL415186, AKOS015921241, ZINC169743612, AB65202, MCULE-7103979778, BC000021, CS-13375, CS-0028801, FT-0724176, ST24021352, A-4201, 1-Methyl-3-trifluoromethylpyrazole-5-boronic acid pinacol ester, 97%, 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-BORONIC ACID PINACOL ESTER, 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 3-(trifluoromethyl)-1H-pyrazole, 1H-Pyrazole, 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-, 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazole,

Complexity	346
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	276.126g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	276.066g/mol
Monoisotopic Mass	276.126g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	36.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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