AG004PCJ

850567-26-9 | (3-(Methoxycarbamoyl)phenyl)boronic acid

AG004PCJ

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CAS Number	850567-26-9
Catalog Number	AG004PCJ(AGN-PC-0712TP)
Chemical Name	(3-(Methoxycarbamoyl)phenyl)boronic acid
IUPAC Name	[3-(methoxycarbamoyl)phenyl]boronic acid
InChI	InChI=1S/C8H10BNO4/c1-14-10-8(11)6-3-2-4-7(5-6)9(12)13/h2-5,12-13H,1H3,(H,10,11)
InChI Key	NDJZQOMZZXSXEM-UHFFFAOYSA-N
MDL Number	MFCD04115698
Molecular Formula	C8H10BNO4
Molecular Weight	194.9803
SMILES	CONC(=O)C1=CC=CC(=C1)B(O)O
Synonyms	850567-26-9, (3-(Methoxycarbamoyl)phenyl)boronic acid, 3-(Methoxycarbamoyl)phenylboronic acid, MFCD04115698, [3-(methoxycarbamoyl)phenyl]boronic acid, 3-(METHYLOXYAMINOCARBONYL)PHENYLBORONIC ACID, ACMC-209q0e, 3-Borono-N-methoxybenzamide, SCHEMBL3756621, CTK5F3914, KS-00000NBI, DTXSID00656965, NDJZQOMZZXSXEM-UHFFFAOYSA-N, ANW-37980, AKOS006222260, ZINC169745676, AB20430, AK-84308, DS-17410, ST2402308, TR-026423, 4CH-017428, FT-0690549, X2361, B-5586, Boronic acid,B-[3-[(methoxyamino)carbonyl]phenyl]-, I04-2705, C8H10BNO4, 3-(Methoxycarbamoyl)benzeneboronic acid, ACN-042796,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.07g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	194.981g/mol
Monoisotopic Mass	195.07g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	78.8A^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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