AG00HAHE

1049730-40-6 | 1-(2,2-Difluoroethyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

AG00HAHE

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CAS Number	1049730-40-6
Catalog Number	AG00HAHE(AGN-PC-0WOFZD)
Chemical Name	1-(2,2-Difluoroethyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
IUPAC Name	1-(2,2-difluoroethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI	InChI=1S/C11H17BF2N2O2/c1-10(2)11(3,4)18-12(17-10)8-5-15-16(6-8)7-9(13)14/h5-6,9H,7H2,1-4H3
InChI Key	VIJHBGGAAIINTO-UHFFFAOYSA-N
MDL Number	MFCD18383265
Molecular Formula	C11H17BF2N2O2
Molecular Weight	258.0727
SMILES	CC1(C)OB(OC1(C)C)c1cn(nc1)CC(F)F
Synonyms	1049730-40-6, 1-(2,2-Difluoroethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, 1-(2,2-Difluoroethyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazole, (1-(2,2-Difluoroethyl)-1H-pyrazol-4-yl)boronic acid pinacol ester, SCHEMBL15508014, VIJHBGGAAIINTO-UHFFFAOYSA-N, KS-000004MI, MFCD18383265, AKOS027338857, ZINC223699406, SB12187, AK341282, AS-36370, CS-0052921, A1-02518, F2147-7789, 1-(2,2-Difluoroethyl)-4-1H-pyrazole-4-boronic acid pinacol ester,

Complexity	299
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	258.135g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	258.076g/mol
Monoisotopic Mass	258.135g/mol
Rotatable Bond Count	3
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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