AG004PCH

850567-34-9 | 3-(2-Thiazolyl)aminocarbonylphenylboronic acid

AG004PCH

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CAS Number	850567-34-9
Catalog Number	AG004PCH(AGN-PC-0UX3IX)
Chemical Name	3-(2-Thiazolyl)aminocarbonylphenylboronic acid
IUPAC Name	[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]boronic acid
InChI	InChI=1S/C10H9BN2O3S/c14-9(13-10-12-4-5-17-10)7-2-1-3-8(6-7)11(15)16/h1-6,15-16H,(H,12,13,14)
InChI Key	ORXREXRVDUFDBS-UHFFFAOYSA-N
MDL Number	MFCD06659885
Molecular Formula	C10H9BN2O3S
Molecular Weight	248.0661
SMILES	C(=O)(Nc1nccs1)c1cc(B(O)O)ccc1
Synonyms	850567-34-9, (3-(Thiazol-2-ylcarbamoyl)phenyl)boronic acid, 3-(2-Thiazolyl)aminocarbonylphenylboronic acid, 3-(1,3-Thiazol-2-ylcarbamoyl)benzeneboronic acid, ACMC-209q0l, SCHEMBL2072476, CTK5F3921, DTXSID90657269, ANW-37987, MFCD06659885, AKOS015856786, ZINC169745707, AB26550, AM87243, PS-9648, RTR-026431, ST2402313, TR-026431, X2368, 3-[(1,3-thiazol-2-yl)carbamoyl]phenylboronic acid, I04-2997, {3-[(1,3-Thiazol-2-yl)carbamoyl]phenyl}boronic acid, Boronic acid,B-[3-[(2-thiazolylamino)carbonyl]phenyl]-, C10H9BN2O3S, ACN-042852, (3-(Thiazol-2-ylcarbamoyl)phenyl)boronicacid, B-4169, 3-(2-THIAZOLYLCARBAMOYL)BENZENEBORONIC ACID,

Complexity	280
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	248.043g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	248.063g/mol
Monoisotopic Mass	248.043g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	111A^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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