AG008SIT

1188405-87-9 | 1-(t-Butoxycarbonyl)pyrazole-4-boronic acid

AG008SIT

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CAS Number	1188405-87-9
Catalog Number	AG008SIT(AGN-PC-0WAKOE)
Chemical Name	1-(t-Butoxycarbonyl)pyrazole-4-boronic acid
IUPAC Name	[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]boronic acid
InChI	InChI=1S/C8H13BN2O4/c1-8(2,3)15-7(12)11-5-6(4-10-11)9(13)14/h4-5,13-14H,1-3H3
InChI Key	IUEPVMMFUSDDBJ-UHFFFAOYSA-N
MDL Number	MFCD09951915
Molecular Formula	C8H13BN2O4
Molecular Weight	212.0108
SMILES	C(C)(C)(C)OC(=O)[N]1C=C(C=N1)B(O)O
Synonyms	1188405-87-9, 947533-31-5, (1-(tert-Butoxycarbonyl)-1H-pyrazol-4-yl)boronic acid, 1-tert-Butoxycarbonyl-1H-pyrazole-4-boronic acid, 1-BOC-1H-PYRAZOLE-4-BORONIC ACID, N-Boc-1H-Pyrazole-4-boronic acid, 1-Boc-4-pyrazoleboronic Acid, 1-(t-Butoxycarbonyl)pyrazole-4-boronic acid, {1-[(tert-butoxy)carbonyl]-1H-pyrazol-4-yl}boronic acid, AK-39759, (1-tert-butoxycarbonylpyrazol-4-yl)boronic acid, C8H13BN2O4, [1-(tert-butoxycarbonyl)-1H-pyrazol-4-yl]boronic acid, PubChem23557, ACMC-209a0h, KSC495M2N, SCHEMBL360564, CTK3J5626, N-Boc-1h-pyrazole-4-boronc acd, IUEPVMMFUSDDBJ-UHFFFAOYSA-N, ZXBA000569, ZX-AT015243, ANW-17247, MFCD09951915, AKOS015838234, ZINC169745290, BCP9000057, CS-W005672, FCH1619569, GS-5721, OR13663, QC-4391, RP26641, RTR-029596, TRA0003433, NCGC00249531-01, AN-26113, BC000098, BR-39759, SC-47988, SC-69927, SY006079, AB0027822, AX8165822, DB-022128, DB-027450, TR-029596, 4CH-001298, 4CH-009113, AM20120370, FT-0725591, FT-0750538, N-Boc-1H-pyrazole-4-boronic acid, >=95%, ST24026048, W9707, Z8046, 1-(tert-Butoxycarbonyl)pyrzol-4-yl-oronic acid, B-6583, 1-(tert-butoxycarbonyl)pyrazol-4-ylboronic acid, MFCD09951915 (95+%), 1-tert-butoxycarbonyl-1 h-pyrazole-4-boronic acid, 1-tert-butoxylcarbonyl-1H-pyrazole-4-boronic acid, 1-(tert-Butoxycarbonyl)-1H-pyrazole-4-boronic acid, 1-tert -Butoxycarbonyl-1H -pyrazole-4-boronic acid, I04-2029, I11-0490, J-523492, 1-(tert-butoxycarbonyl)-1H-pyrazol-4-ylboronic acid, 1-(TERT-BUTOXYCARBONYL)PYRAZOL-4-YL-BORONIC ACID, ACN-032685, 1-(tert-Butoxycarbonyl)pyrazole-4-boronic acid, 1H-Pyrazole-4-boronic acid, N-BOC protected, (1-(tert-Butoxycarbonyl)-3,5-dimethyl-1H-pyrazol-4-yl)boronic acid, 1-(tert-butoxycarbonyl)-3,5-dimethyl-1h-pyrazol-4-ylboronic acid, 944401-77-8,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.097g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	212.012g/mol
Monoisotopic Mass	212.097g/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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number