AG000MF1

1245816-26-5 | Boronic acid, B-(3-methyl-1H-indazol-6-yl)-

AG000MF1

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CAS Number	1245816-26-5
Catalog Number	AG000MF1(AGN-PC-0WA8TO)
Chemical Name	Boronic acid, B-(3-methyl-1H-indazol-6-yl)-
IUPAC Name	(3-methyl-2H-indazol-6-yl)boronic acid
InChI	InChI=1S/C8H9BN2O2/c1-5-7-3-2-6(9(12)13)4-8(7)11-10-5/h2-4,12-13H,1H3,(H,10,11)
InChI Key	BILMNHWUQJFDED-UHFFFAOYSA-N
MDL Number	MFCD11044596
Molecular Formula	C8H9BN2O2
Molecular Weight	175.9803
SMILES	CC1=NNC2=CC(=CC=C12)B(O)O
Synonyms	1245816-26-5, 3-Methyl-1H-indazole-6-boronic acid, 3-Methyl-1H-indazol-6-yl-6-boronic acid, (3-methyl-1H-indazol-6-yl)boronic acid, 3-methyl-1H-indazol-6-ylboronic acid, MFCD11044596, (3-methyl-2H-indazol-6-yl)boronic acid, SCHEMBL14661810, CTK7I2611, DTXSID40657118, BILMNHWUQJFDED-UHFFFAOYSA-N, BCP23500, AKOS006307071, ZINC169745728, PB11976, QC-3990, RP09336, KS-0000072N, AK-47794, BR-47794, DS-14525, SY032708, AB0035296, DB-020966, ST1100594, CS-0006097, FT-0685873, X9601, MFCD11044596 (95%), S-7323, Boronic acid, B-(3-methyl-1H-indazol-6-yl)-, 3-Methyl-1H-indazole-6-boronic acid, AldrichCPR, I04-8330, J-512819, C8H9BN2O2, 3-methyl-1H-indazol-6-yl-6-boronicacid,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.076g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	175.982g/mol
Monoisotopic Mass	176.076g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	69.1A^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

Lot Number