AG004YHZ

850568-75-1 | 4-hydroxy-3-nitrophenylboronic acid

AG004YHZ

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CAS Number	850568-75-1
Catalog Number	AG004YHZ(AGN-PC-0UX3LW)
Chemical Name	4-hydroxy-3-nitrophenylboronic acid
IUPAC Name	(4-hydroxy-3-nitrophenyl)boronic acid
InChI	InChI=1S/C6H6BNO5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9-11H
InChI Key	GEQDFOXXEZKEPZ-UHFFFAOYSA-N
MDL Number	MFCD06659843
Molecular Formula	C6H6BNO5
Molecular Weight	182.9265
SMILES	O=[N+](C1=CC(B(O)O)=CC=C1O)[O-]
Synonyms	(4-hydroxy-3-nitrophenyl)boronic acid, 850568-75-1, 4-Hydroxy-3-nitrophenylboronic acid, 4-Hydroxy-3-nitrobenzeneboronic acid, (4-hydroxy-3-nitro-phenyl)boronic acid, AK-44727, PubChem17387, CTK5F3987, KS-00000KOL, DTXSID60656966, ZX-AT022011, CH-353, MFCD06659843, OR1330, AKOS016015636, ZINC169746876, AB26457, ACN-049416, FCH1122730, (4-hydroxy-3-nitro)benzeneboronic acid, (3-nitro-4-oxidanyl-phenyl)boronic acid, AN-27027, CC-00712, DS-13391, 4-hydroxy-3-nitrobenzeneboronic acid 95%, AX8003447, Boronic acid,B-(4-hydroxy-3-nitrophenyl)-, DB-018008, ST2414347, 4CH-013579, FT-0644948, 568H751, A841136, C-07064,

Complexity	194
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	183.034g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	182.926g/mol
Monoisotopic Mass	183.034g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	107A^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

Lot Number