AG009WUZ

1361380-69-9 | 1-ISOPROPYL-3-(TRIFLUOROMETHYL)PYRAZOLE-5-BORONIC ACID

AG009WUZ

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CAS Number	1361380-69-9
Catalog Number	AG009WUZ(AGN-PC-0H5W1B)
Chemical Name	1-ISOPROPYL-3-(TRIFLUOROMETHYL)PYRAZOLE-5-BORONIC ACID
IUPAC Name	[2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]boronic acid
InChI	InChI=1S/C7H10BF3N2O2/c1-4(2)13-6(8(14)15)3-5(12-13)7(9,10)11/h3-4,14-15H,1-2H3
InChI Key	BRTYYHMOCKZIPM-UHFFFAOYSA-N
MDL Number	MFCD24448764
Molecular Formula	C7H10BF3N2O2
Molecular Weight	221.9727
SMILES	FC(C1=NN(C(C)C)C(B(O)O)=C1)(F)F
Synonyms	1361380-69-9, (1-Isopropyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)boronic acid, 1-ISOPROPYL-3-(TRIFLUOROMETHYL)PYRAZOLE-5-BORONIC ACID, [1-Isopropyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]boronic acid, SCHEMBL722919, KM3724, MFCD24448764, AKOS024462385, ZINC169747593, AK160352, AM808032, AS-32991, PC448022, AX8293500, CS-0029536, V2526, EN300-212789, Boronic acid, B-[1-(1-methylethyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-, C7H10BF3N2O2, ACN-046518,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.079g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	221.974g/mol
Monoisotopic Mass	222.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	58.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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