AG00168N

1218790-40-9 | 3-(Trifluoromethyl)-1h-pyrazole-4-boronic acid, pinacol ester

AG00168N

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CAS Number	1218790-40-9
Catalog Number	AG00168N(AGN-PC-0WA7OZ)
Chemical Name	3-(Trifluoromethyl)-1h-pyrazole-4-boronic acid, pinacol ester
IUPAC Name	4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-1H-pyrazole
InChI	InChI=1S/C10H14BF3N2O2/c1-8(2)9(3,4)18-11(17-8)6-5-15-16-7(6)10(12,13)14/h5H,1-4H3,(H,15,16)
InChI Key	WHYPQJYBTNZKBY-UHFFFAOYSA-N
MDL Number	MFCD11501039
Molecular Formula	C10H14BF3N2O2
Molecular Weight	262.0366
SMILES	FC(C1=NNC=C1B2OC(C)(C)C(C)(C)O2)(F)F
Synonyms	1218790-40-9, 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole, 3-(Trifluoromethyl)-1H-pyrazole-4-boronic acid, pinacol ester, 3-Trifluoromethyl-1H-pyrazole-4-boronic acid pinacol ester, 3-(Trifluoromethyl)-1h-pyrazole-4-boronic acid pinacol ester, (3-(TRIFLUOROMETHYL)-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER, WHYPQJYBTNZKBY-UHFFFAOYSA-N, SCHEMBL1159688, DTXSID70672879, 3-Trifluoromethyl-1H-pyrazole-4-boronic acid, pinacol ester, ZXBA000577, ZX-AP010114, MFCD11501039, PC5494, SBB102480, AKOS015960287, ZINC169902918, FCH2837671, SB12184, 4-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE, AK-84158, AS-35834, BC000108, SC-69905, AX8222163, X1719, A-5641, 3-(Trifluoromethyl)-1H-pyrazole-4-boronic acid pin, 3-(Trifluoromethyl)-1H-pyrazole-4-boronic acid pinacol ester, 97%, 1H-Pyrazole, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-, 4,4,5,5-tetramethyl-2-[3-(trifluoromethyl)pyrazol-4-yl]-1,3,2-dioxaborolane, 4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-3-trifluoromethyl-1H-pyrazole, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-1H-pyrazole, C10H14BF3N2O2,

Complexity	320
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	262.11g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	262.039g/mol
Monoisotopic Mass	262.11g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	47.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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