AG00GTD6

913835-40-2 | 4-(2,5-Dimethylphenylcarbamoyl)phenylboronic acid

AG00GTD6

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CAS Number	913835-40-2
Catalog Number	AG00GTD6(AGN-PC-071335)
Chemical Name	4-(2,5-Dimethylphenylcarbamoyl)phenylboronic acid
IUPAC Name	[4-[(2,5-dimethylphenyl)carbamoyl]phenyl]boronic acid
InChI	InChI=1S/C15H16BNO3/c1-10-3-4-11(2)14(9-10)17-15(18)12-5-7-13(8-6-12)16(19)20/h3-9,19-20H,1-2H3,(H,17,18)
InChI Key	HCANATQAPBZHDY-UHFFFAOYSA-N
MDL Number	MFCD09027214
Molecular Formula	C15H16BNO3
Molecular Weight	269.1034
SMILES	B(c1ccc(cc1)C(=O)Nc2cc(ccc2C)C)(O)O
Synonyms	913835-40-2, N-(2,5-Dimethylphenyl) 4-boronobenzamide, (4-((2,5-Dimethylphenyl)carbamoyl)phenyl)boronic acid, 4-(2,5-Dimethylphenylcarbamoyl)phenylboronic acid, 4-[(2,5-Dimethylphenyl)carbamoyl]benzeneboronic acid, 4-Borono-N-(2,5-dimethylphenyl)benzamide, [4-[(2,5-dimethylphenyl)carbamoyl]phenyl]boronic acid, {4-[(2,5-Dimethylphenyl)carbamoyl]phenyl}boronic acid, ACMC-209r9a, SCHEMBL2559603, CTK3I6400, DTXSID90657062, ANW-39596, MFCD09027214, AKOS015833643, ZINC169745549, PS-9593, RTR-028634, BC001908, N-(2,5-Dimethylphenyl)4-boronobenzamide, TR-028634, ST24034525, X1451, B-5602, 4-[(2,5-dimethylphenyl)carbamoyl]phenylboronic acid, I01-10663, 4-(2,5-DIMETHYLPHENYLAMINOCARBONYL)PHENYLBORONIC ACID, Boronicacid, B-[4-[[(2,5-dimethylphenyl)amino]carbonyl]phenyl]-, Boronicacid,b-[4-[[(2,5-dimethylphenyl)amino]carbonyl]phenyl]-, 4- phenylboronicacid, C15H16BNO3, ACN-042710, 4-(2,5-Dimethylphenylcarbamoyl)benzeneboronic acid,

Complexity	329
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	269.122g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	269.107g/mol
Monoisotopic Mass	269.122g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	69.6A^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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