AG0015SD

1217501-27-3 | 1-BOC-3-Methylpyrazole-5-boronic acid

AG0015SD

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CAS Number	1217501-27-3
Catalog Number	AG0015SD(AGN-PC-09PYXU)
Chemical Name	1-BOC-3-Methylpyrazole-5-boronic acid
IUPAC Name	[5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]boronic acid
InChI	InChI=1S/C9H15BN2O4/c1-6-5-7(10(14)15)12(11-6)8(13)16-9(2,3)4/h5,14-15H,1-4H3
InChI Key	JCGANVBFCXPIOL-UHFFFAOYSA-N
MDL Number	MFCD15143457
Molecular Formula	C9H15BN2O4
Molecular Weight	226.0374
SMILES	CC1=NN(C(OC(C)(C)C)=O)C(B(O)O)=C1
Synonyms	1217501-27-3, 1-BOC-3-Methylpyrazole-5-boronic acid, (1-(tert-Butoxycarbonyl)-3-methyl-1H-pyrazol-5-yl)boronic acid, 1-Boc-3-methyl-1H-pyrazole-5-boronic Acid, [1-(tert-Butoxycarbonyl)-3-methyl-1H-pyrazol-5-yl]boronic acid, ACMC-209agz, SCHEMBL359804, CTK4B2694, DTXSID20681572, JCGANVBFCXPIOL-UHFFFAOYSA-N, ANW-17841, MFCD15143457, AKOS015837071, ZINC169746248, FCH2818956, AK-91840, AS-55543, OR360357, SY107067, AX8230013, TR-034714, ST24020064, Z8479, MFCD15143457 (95%), A-3841, I04-1899, 1-tert-butoxycarbonyl-3-methylpyrazole-5-boronic acid, (2-tert-butoxycarbonyl-5-methyl-pyrazol-3-yl)boronic acid, {1-[(tert-butoxy)carbonyl]-3-methyl-1H-pyrazol-5-yl}boronic acid, 1H-Pyrazole-1-carboxylic acid, 5-borono-3-methyl-, 1-(1,1-dimethylethyl) ester, C9H15BN2O4, ACN-046563, (1-(TERT-BUTOXYCARBONYL)-3-METHYL-1H-PYRAZOL-5-YL)BORONICACID,

Complexity	267
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.112g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	226.039g/mol
Monoisotopic Mass	226.112g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	84.6A^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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