AG0032NA

1204333-57-2 | (1,5-Dimethyl-1H-pyrazol-4-yl)boronic acid

AG0032NA

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CAS Number	1204333-57-2
Catalog Number	AG0032NA(AGN-PC-0WA45I)
Chemical Name	(1,5-Dimethyl-1H-pyrazol-4-yl)boronic acid
IUPAC Name	(1,5-dimethylpyrazol-4-yl)boronic acid
InChI	InChI=1S/C5H9BN2O2/c1-4-5(6(9)10)3-7-8(4)2/h3,9-10H,1-2H3
InChI Key	NAYVNBPKYJFKQA-UHFFFAOYSA-N
MDL Number	MFCD13195678
Molecular Formula	C5H9BN2O2
Molecular Weight	139.9482
SMILES	CC1=C(B(O)O)C=NN1C
Synonyms	1204333-57-2, 1,5-Dimethylpyrazole-4-boronic acid, (1,5-Dimethyl-1H-pyrazol-4-yl)boronic acid, 1,5-DIMETHYL-1H-PYRAZOL-4-YLBORONIC ACID, ACMC-209a7g, SCHEMBL1359002, CTK4B1866, DTXSID40681756, NAYVNBPKYJFKQA-UHFFFAOYSA-N, ANW-17498, MFCD13195678, 1,5-Dimethyl-4-pyrazoleboronic Acid, AKOS006336465, ZINC169794566, AB70461, SC-51318, TR-034455, FT-0752721, Z8233, A-5407, 1,5-dimethylpyrazole-4-boronic acid, AldrichCPR, B-(1,5-dimethyl-1H-pyrazol-4-yl)Boronic acid, 1,5-DIMETHYL-1H-PYRAZOLE-4-BORONIC ACID, I04-2281, C5H9BN2O2,

Complexity	122
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	1
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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