AG0032BB

869973-96-6 | (1-Methyl-1H-pyrazol-3-yl)boronic acid

AG0032BB

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CAS Number	869973-96-6
Catalog Number	AG0032BB(AGN-PC-09QW8L)
Chemical Name	(1-Methyl-1H-pyrazol-3-yl)boronic acid
IUPAC Name	(1-methylpyrazol-3-yl)boronic acid
InChI	InChI=1S/C4H7BN2O2/c1-7-3-2-4(6-7)5(8)9/h2-3,8-9H,1H3
InChI Key	WUDMJZRGWGQBQH-UHFFFAOYSA-N
MDL Number	MFCD11977279
Molecular Formula	C4H7BN2O2
Molecular Weight	125.9216
SMILES	CN1N=C(C=C1)B(O)O
Synonyms	(1-Methyl-1H-pyrazol-3-yl)boronic acid, 869973-96-6, Boronic acid, (1-methyl-1H-pyrazol-3-yl)-, BORONIC ACID, B-(1-METHYL-1H-PYRAZOL-3-YL)-, B-(1-Methyl-1H-pyrazol-3-yl)-boronic acid, 1-methyl-1H-pyrazol-3-ylboronic acid, PubChem23537, SCHEMBL350714, 1-Methylpyrazole-3-boronic Acid, CTK3C5995, DTXSID60693457, WUDMJZRGWGQBQH-UHFFFAOYSA-N, (1-methyl-3-pyrazolyl)boronic acid, (1-methylpyrazol-3-yl)boronic acid, 3705AC, ANW-71829, MFCD11977279, AKOS015951002, ZINC169967524, SB22947, 1-Methyl-1H-pyrazol-3-yl)boronic acid, AK-67748, AS-55550, AB1007251, TC-160574, ST24033516, null, C4H7BN2O2,

Complexity	101
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	126.06g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	125.922g/mol
Monoisotopic Mass	126.06g/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-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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