AG0002OQ

1007110-53-3 | 1-Ethylpyrazole-5-boronic acid, pinacol ester

AG0002OQ

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CAS Number	1007110-53-3
Catalog Number	AG0002OQ(AGN-PC-0WA4L2)
Chemical Name	1-Ethylpyrazole-5-boronic acid, pinacol ester
IUPAC Name	1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
InChI	InChI=1S/C11H19BN2O2/c1-6-14-9(7-8-13-14)12-15-10(2,3)11(4,5)16-12/h7-8H,6H2,1-5H3
InChI Key	PKJCXHILXIEALN-UHFFFAOYSA-N
MDL Number	MFCD16659009
Molecular Formula	C11H19BN2O2
Molecular Weight	222.0918
SMILES	CC1(C)C(C)(C)OB(C2=CC=NN2CC)O1
Synonyms	1007110-53-3, 1-Ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, 1-ETHYLPYRAZOLE-5-BORONIC ACID PINACOL ESTER, 1-ethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole, 1-ethylpyrazole-5-boronic acid, pinacol ester, 1-ethylpyrazole-5-boronic acid,pinacol ester, (1-ETHYL-1H-PYRAZOL-5-YL)BORONIC ACID PINACOL ESTER, SCHEMBL1530333, CTK8B4385, DTXSID40682349, PKJCXHILXIEALN-UHFFFAOYSA-N, KS-000003MO, ANW-44885, CE-662, MFCD16659009, STL415200, AKOS015921212, ZINC169746171, CS-W001067, MCULE-5034744571, PB21399, QC-3566, TRA0002482, AS-32464, SC-28557, SY021888, AB0031704, DB-058475, FT-0749610, ST24021316, X4880, B-6231, MFCD16659009 (97+%), 1-Ethyl-1H-pyrazole-5-boronic acid pinacol ester, Z2106609711, 1H-Pyrazole,1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-d, 1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-d ioxaborolan-2-yl)-1H-pyrazole, 1-Ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-pyrazole, 1H-Pyrazole,1-ethyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-, 1H-PYRAZOLE, 1-ETHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, C11H19BN2O2,

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.154g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	222.095g/mol
Monoisotopic Mass	222.154g/mol
Rotatable Bond Count	2
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

Certificate of Analysis

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