AG0039CH

1095080-54-8 | 1-Ethyl-1H-pyrazol-5-ylboronic acid

AG0039CH

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CAS Number	1095080-54-8
Catalog Number	AG0039CH(AGN-PC-08AYRK)
Chemical Name	1-Ethyl-1H-pyrazol-5-ylboronic acid
IUPAC Name	(2-ethylpyrazol-3-yl)boronic acid
InChI	InChI=1S/C5H9BN2O2/c1-2-8-5(6(9)10)3-4-7-8/h3-4,9-10H,2H2,1H3
InChI Key	ZMKALWZRSCXBEY-UHFFFAOYSA-N
MDL Number	MFCD03419491
Molecular Formula	C5H9BN2O2
Molecular Weight	139.9482
SMILES	C(C)N1N=CC=C1B(O)O
Synonyms	1095080-54-8, 1-Ethylpyrazole-5-boronic Acid, (1-Ethyl-1H-pyrazol-5-yl)boronic acid, 1-ETHYL-1H-PYRAZOL-5-YLBORONIC ACID, B-(1-Ethyl-1H-pyrazol-5-yl)boronic acid, (1-ETHYL-1H-PYRAZOL-5-YL)BORANEDIOL, 1-Ethylpyrazole-5-boronicAcid, SCHEMBL1648042, CTK8E1666, KS-00000RMH, 5124AJ, MFCD03419491, SBB073219, STL411789, AKOS003585317, ZINC169950043, AB14503, MCULE-7676387631, AK-85871, DA-16915, DS-18118, SY016173, TC-306723, CS-0028760, FT-0757853, ST45255716, EN300-92446, K-0656, MFCD03419491 (95+%), C5H9BN2O2, 1141669-65-9,

Complexity	112
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	140.076g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	139.949g/mol
Monoisotopic Mass	140.076g/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

Lot Number