AG007U04

108749-15-1 | 3-(dihydroxyboranyl)-5-acetamidobenzoic acid

AG007U04

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CAS Number	108749-15-1
Catalog Number	AG007U04(AGN-PC-0OYUK5)
Chemical Name	3-(dihydroxyboranyl)-5-acetamidobenzoic acid
IUPAC Name	3-acetamido-5-boronobenzoic acid
InChI	InChI=1S/C9H10BNO5/c1-5(12)11-8-3-6(9(13)14)2-7(4-8)10(15)16/h2-4,15-16H,1H3,(H,11,12)(H,13,14)
InChI Key	JXYOFLNJWCEEBS-UHFFFAOYSA-N
MDL Number	MFCD08436066
Molecular Formula	C9H10BNO5
Molecular Weight	222.9904
SMILES	O=C(O)C1=CC(B(O)O)=CC(NC(C)=O)=C1
Synonyms	3-acetamido-5-boronobenzoic acid, 108749-15-1, 3-Acetamido-5-carboxybenzeneboronic acid, 3-(dihydroxyboranyl)-5-acetamidobenzoic acid, C9H10BNO5, CHEMBL574842, SCHEMBL3450025, CTK4A6178, DTXSID40657153, ACMC-209916, ACT11002, ZX-AT019395, ANW-15976, MFCD08436066, OR3320, AKOS015837740, ZINC169743993, RTR-001991, BC001324, 3-Acetamido-5-(dihydroxyboryl)benzoic acid, AX8226812, Benzoic acid,3-acetamido-5-borono- (6CI), TR-001991, FT-0687832, ST24022641, X1614, A-3608, (3-acetamido-5-carboxy)phenylboronic acid, AldrichCPR, I01-11309, 3-Acetamido-5-boronobenzoicacid, ACN-032643,

Complexity	283
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.065g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	222.991g/mol
Monoisotopic Mass	223.065g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	107A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code	\N

Certificate of Analysis

Lot Number