AG00523S

839714-33-9 | (1-Isopropyl-1H-pyrazol-5-yl)boronic acid

AG00523S

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CAS Number	839714-33-9
Catalog Number	AG00523S(AGN-PC-03ZNMS)
Chemical Name	(1-Isopropyl-1H-pyrazol-5-yl)boronic acid
IUPAC Name	(2-propan-2-ylpyrazol-3-yl)boronic acid
InChI	InChI=1S/C6H11BN2O2/c1-5(2)9-6(7(10)11)3-4-8-9/h3-5,10-11H,1-2H3
InChI Key	RWQOGZHKBNANKP-UHFFFAOYSA-N
MDL Number	MFCD11098002
Molecular Formula	C6H11BN2O2
Molecular Weight	153.9747
SMILES	CC(N1N=CC=C1B(O)O)C
Synonyms	839714-33-9, (1-Isopropyl-1H-pyrazol-5-yl)boronic acid, 1-Isopropylpyrazole-5-boronic Acid, 1-isopropyl-1H-pyrazol-5-ylboronic acid, 1-ISOPROPYL-1H-PYRAZOLE-5-BORONIC ACID, (2-Propan-2-ylpyrazol-3-yl)boronic acid, [1-(propan-2-yl)-1H-pyrazol-5-yl]boronic acid, Boronic acid, [1-(1-methylethyl)-1H-pyrazol-5-yl]-, SCHEMBL3663108, CTK8E1670, 1-Isopropylpyrazole-5-boronicAcid, RWQOGZHKBNANKP-UHFFFAOYSA-N, CS-B1110, MFCD11098002, AKOS003585318, ZINC169950162, AB63080, GS-6174, 2-isopropyl-2H-pyrazole-3-boronic acid, AK-85872, DA-16942, TC-306731, FT-0751725, Z-4360, Boronic acid, B-[1-(1-methylethyl)-1H-pyrazol-5-yl]-,

Complexity	132
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.091g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	153.976g/mol
Monoisotopic Mass	154.091g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	58.3A^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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