AG003BF4

852362-22-2 | (1-Benzyl-1H-pyrazol-4-yl)boronic acid

AG003BF4

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CAS Number	852362-22-2
Catalog Number	AG003BF4(AGN-PC-0KSXQ7)
Chemical Name	(1-Benzyl-1H-pyrazol-4-yl)boronic acid
IUPAC Name	(1-benzylpyrazol-4-yl)boronic acid
InChI	InChI=1S/C10H11BN2O2/c14-11(15)10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8,14-15H,7H2
InChI Key	JXNAIAOHYPDQQC-UHFFFAOYSA-N
MDL Number	MFCD04038760
Molecular Formula	C10H11BN2O2
Molecular Weight	202.0175
SMILES	OB(O)C1=CN(CC2=CC=CC=C2)N=C1
Synonyms	852362-22-2, 1-Benzyl-1H-pyrazole-4-boronic acid, (1-Benzyl-1H-pyrazol-4-yl)boronic acid, 1H-Pyrazole-1-benzyl-4-boronic acid, Boronic acid, [1-(phenylmethyl)-1H-pyrazol-4-yl]-, 1-BENZYL-1H-PYRAZOL-4-YLBORONIC ACID, 1H-Pyrazole-benzyl-4-boronic acid, (1-benzylpyrazol-4-yl)boronic Acid, PubChem7899, akos brn-0254, AC1MNHKB, SCHEMBL578237, ACMC-209q58, 1-benzylpyrazole-4-boronic acid, CTK5F4601, 1-benzylpyrazol-4-ylboronic acid, DTXSID30391716, JXNAIAOHYPDQQC-UHFFFAOYSA-N, BM165, ANW-38154, MFCD04038760, SBB092844, AKOS004116327, ZINC169743739, 1-Benzyl-1H -pyrazole-4-boronic acid, AB17200, BS-2021, CB-2199, RP04346, RTR-026670, KS-0000231R, NCGC00249527-01, (1-Benzyl-1H-pyrazole-4-yl)boronic acid, 1-BENZYL-4-1H-PYRAZOLEBORONIC ACID, AB1007814, DB-013579, TR-026670, TR-040855, 1-BENZYL-1H-PYRAZOL-4-BORONIC ACID, FT-0084784, FT-0660333, Y4284, B-4541, 1 - Benzyl - 1H - pyrazole - 4 - boronic acid, J-504256, Boronic acid,B-[1-(phenylmethyl)-1H-pyrazol-4-yl]-, I14-11015, 1-(phenylmethyl)-1h-pyrazole-4-boronic acid, 1-benzyl-4-borono-1h-pyrazole, null, C10H11BN2O2, CID3352881, 1-BENZYL-1H-PYRAZOLE-4-BORONICACID,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	202.091g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	202.02g/mol
Monoisotopic Mass	202.091g/mol
Rotatable Bond Count	3
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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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