AG000FSP

1150561-76-4 | 1-Acetyl-1H-pyrazole-4-boronic acid, pinacol ester

AG000FSP

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CAS Number	1150561-76-4
Catalog Number	AG000FSP(AGN-PC-0WA48T)
Chemical Name	1-Acetyl-1H-pyrazole-4-boronic acid, pinacol ester
IUPAC Name	1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethanone
InChI	InChI=1S/C11H17BN2O3/c1-8(15)14-7-9(6-13-14)12-16-10(2,3)11(4,5)17-12/h6-7H,1-5H3
InChI Key	GAXOQGDPSCOOLC-UHFFFAOYSA-N
MDL Number	MFCD09027064
Molecular Formula	C11H17BN2O3
Molecular Weight	236.0753
SMILES	CC1(C)OB(OC1(C)C)C2=CN(C(C)=O)N=C2
Synonyms	1150561-76-4, 1-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-ethanone, 1-ACETYL-1H-PYRAZOLE-4-BORONIC ACID, PINACOL ESTER, 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)ethanone, 1-Acetyl-1H-pyrazole-4-boronic acid pinacol ester, 1-Acetylpyrazole-4-boronic Acid Pinacol Ester, 1-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]ethan-1-one, 1-Acetyl-1H-pyrazole-4-boronic acid pinacol ester, 97%, SCHEMBL14654744, CTK8B2978, DTXSID30590348, BM626, ZXBA000479, ANW-41540, MFCD09027064, AKOS015960183, ZINC169743550, FCH2821466, QC-4902, RTR-002899, SB12191, AK-38141, AS-55630, BC000087, OR360109, SY025297, AX8208764, TR-002899, FT-0690171, ST24027175, MFCD09027064 (95%), A-3666, J-003245, 1-Acetyl-1H-pyrazole-4-boronic acid pinacol ester, AldrichCPR, 1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]ethan-1-one, Ethanone, 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-, Ethanone,1-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazol-1-yl]-, ACN-053842, 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethanone,

Complexity	317
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	236.133g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	236.078g/mol
Monoisotopic Mass	236.133g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	53.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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