AG000QFR

1201643-70-0 | 1-Phenylpyrazole-4-boronic acid

AG000QFR

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CAS Number	1201643-70-0
Catalog Number	AG000QFR(AGN-PC-06GMKZ)
Chemical Name	1-Phenylpyrazole-4-boronic acid
IUPAC Name	(1-phenylpyrazol-4-yl)boronic acid
InChI	InChI=1S/C9H9BN2O2/c13-10(14)8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7,13-14H
InChI Key	YHFFOAKRWYIKBG-UHFFFAOYSA-N
MDL Number	MFCD11044914
Molecular Formula	C9H9BN2O2
Molecular Weight	187.9910
SMILES	OB(C1=CN(C2=CC=CC=C2)N=C1)O
Synonyms	(1-Phenyl-1H-pyrazol-4-yl)boronic acid, 1201643-70-0, 1-PHENYLPYRAZOLE-4-BORONIC ACID, 1-PHENYL-1H-PYRAZOLE-4-BORONIC ACID, ACMC-209a6i, SCHEMBL12266089, CTK4B1712, DTXSID10655565, ANW-17464, CP-448, MFCD11044914, 1-phenyl-1H-pyrazol-4-ylboronic acid, AKOS009317882, ZINC169922591, 1-Phenyl-1H-pyrazole-4-boronic acid?, 1-PHENYLPYRAZOL-4-BORONIC ACID, AB62962, AK-96222, DA-14597, DS-18063, TR-034443, CS-0029533, FT-0706815, Z8195, Boronicacid,B-(1-phenyl-1H-pyrazol-4-yl)-, A-5399, Boronic acid, B-(1-phenyl-1H-pyrazol-4-yl)-, I04-2302, C9H9BN2O2, (1-PHENYL-1H-PYRAZOL-4-YL)BORONICACID, 1-Phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.076g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	187.993g/mol
Monoisotopic Mass	188.076g/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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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