AG00GTDF

913835-61-7 | 4-(N'-Hydroxycarbamimidoyl)phenylboronic acid

AG00GTDF

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CAS Number	913835-61-7
Catalog Number	AG00GTDF(AGN-PC-07137U)
Chemical Name	4-(N'-Hydroxycarbamimidoyl)phenylboronic acid
IUPAC Name	[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]boronic acid
InChI	InChI=1S/C7H9BN2O3/c9-7(10-13)5-1-3-6(4-2-5)8(11)12/h1-4,11-13H,(H2,9,10)
InChI Key	LTKQMNXFUOIBQG-UHFFFAOYSA-N
MDL Number	MFCD08436061
Molecular Formula	C7H9BN2O3
Molecular Weight	179.9690
SMILES	N/C(C1=CC=C(B(O)O)C=C1)=NO
Synonyms	913835-61-7, 4-(N'-Hydroxycarbamimidoyl)phenylboronic acid, (4-(N'-Hydroxycarbamimidoyl)phenyl)boronic acid, 4-(N'-Hydroxycarbamimidoyl)benzeneboronic acid, 4-Amidoximobenzeneboronic acid, MFCD08436061, AKOS015856716, AKOS025312334, RTR-028655, AX8231633, V9017, I04-2991, C7H9BN2O3, (4-(N'-Hydroxycarbamimidoyl)phenyl)boronicacid,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	180.071g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	179.97g/mol
Monoisotopic Mass	180.071g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	99.1A^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-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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