AG0002XH

1008139-25-0 | Boronic acid, B-4-isoxazolyl-

AG0002XH

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CAS Number	1008139-25-0
Catalog Number	AG0002XH(AGN-PC-07XUDA)
Chemical Name	Boronic acid, B-4-isoxazolyl-
IUPAC Name	1,2-oxazol-4-ylboronic acid
InChI	InChI=1S/C3H4BNO3/c6-4(7)3-1-5-8-2-3/h1-2,6-7H
InChI Key	HANPIZQMFCWPKY-UHFFFAOYSA-N
MDL Number	MFCD06657892
Molecular Formula	C3H4BNO3
Molecular Weight	112.8798
SMILES	OB(O)C1=CON=C1
Synonyms	Isoxazole-4-boronic acid, 1008139-25-0, Isoxazol-4-ylboronic acid, (1,2-oxazol-4-yl)boronic acid, 4-Isoxazolyl-boronic acid, 1,2-oxazol-4-ylboronic acid, Boronic acid, B-4-isoxazolyl-, Isoxazole-4-boronicacid, isoxazol-4-boronic acid, ACMC-2097sl, Isoxazole-4-ylboronic acid, B-4-Isoxazolylboronic acid, SCHEMBL2414159, AMBA00035, CTK3J9273, KS-00000HHI, DTXSID80675073, HANPIZQMFCWPKY-UHFFFAOYSA-N, ANW-14371, MFCD06657892, isoxazole-4-boronic acid, AldrichCPR, AKOS006293859, ZINC169747552, AM90003, CS-W009168, RP19080, RTX-011089, AK-32646, DS-11865, SC-51299, SY020548, DB-058496, ST2407061, 4CH-019058, FT-0749486, X4967, J3.534.621J, MFCD06657892 (98%), A-4086, I04-2937, J-521609, C3H4BNO3, ACN-046545,

Complexity	78.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	113.028g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	112.879g/mol
Monoisotopic Mass	113.028g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66.5A^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

Lot Number