AG000OMD

1257527-53-9 | 1-Methyl-1h-indazole-4-boronic acid, HCl salt

AG000OMD

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CAS Number	1257527-53-9
Catalog Number	AG000OMD(AGN-PC-07XTDR)
Chemical Name	1-Methyl-1h-indazole-4-boronic acid, HCl salt
IUPAC Name	(1-methylindazol-4-yl)boronic acid;hydrochloride
InChI	InChI=1S/C8H9BN2O2.ClH/c1-11-8-4-2-3-7(9(12)13)6(8)5-10-11;/h2-5,12-13H,1H3;1H
InChI Key	KHFSEMAIXIWYGM-UHFFFAOYSA-N
MDL Number	MFCD13176537
Molecular Formula	C8H10BClN2O2
Molecular Weight	212.4412
SMILES	CN1N=CC2=C1C=CC=C2B(O)O.[H]Cl
Synonyms	1257527-53-9, (1-Methyl-1H-indazol-4-yl)boronic acid hydrochloride, 1-Methyl-1H-indazole-4-boronic acid hydrochloride, 1-METHYL-1H-INDAZOLE-4-BORONIC ACID, HYDROCHLORIDE SALT, ACMC-20a45v, C8H9BN2O2.HCl, CTK8B7065, DTXSID40674183, ZXBA000663, ANW-56321, MFCD13176537, AKOS015893463, OR360437, AX8239875, TC-145066, FT-0744547, ST24020078, Z8975, 1-Methyl-1h-indazole-4-boronic acid HCl salt, A-9172, I04-5839, 1-METHYL-1H-INDAZOLE-4-BORONIC ACID, HCL SALT, (1-Methyl-1H-indazol-4-yl)boronic acid--hydrogen chloride (1/1), Boronic acid, B-(1-methyl-1H-indazol-4-yl)-, hydrochloride (1:1), 5-methyl-1H-indazole-6-boronic acid, hydrochloride salt,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.052g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	212.44g/mol
Monoisotopic Mass	212.052g/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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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