AG00H83Z

957061-00-6 | 3-Borono-N-(2,5-dimethylphenyl)benzamide

AG00H83Z

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CAS Number	957061-00-6
Catalog Number	AG00H83Z(AGN-PC-0W5CBJ)
Chemical Name	3-Borono-N-(2,5-dimethylphenyl)benzamide
IUPAC Name	[3-[(2,5-dimethylphenyl)carbamoyl]phenyl]boronic acid
InChI	InChI=1S/C15H16BNO3/c1-10-6-7-11(2)14(8-10)17-15(18)12-4-3-5-13(9-12)16(19)20/h3-9,19-20H,1-2H3,(H,17,18)
InChI Key	VXKQWIGNLAJBGU-UHFFFAOYSA-N
MDL Number	MFCD09027263
Molecular Formula	C15H16BNO3
Molecular Weight	269.1034
SMILES	O=C(C1=CC(B(O)O)=CC=C1)NC2=CC(C)=CC=C2C
Synonyms	957061-00-6, 3-Borono-N-(2,5-dimethylphenyl)benzamide, (3-((2,5-Dimethylphenyl)carbamoyl)phenyl)boronic acid, 3-(2,5-Dimethylphenylcarbamoyl)phenylboronic acid, 3-[(2,5-Dimethylphenyl)carbamoyl]benzeneboronic acid, {3-[(2,5-Dimethylphenyl)carbamoyl]phenyl}boronic acid, ACMC-209s1i, SCHEMBL2557996, CTK5H8010, 3-(2,5-DIMETHYLPHENYLCARBAMOYL)BENZENEBORONIC ACID, DTXSID90657002, ANW-40612, MFCD09027263, AKOS015833553, ZINC169745355, PS-9687, RTR-029900, BC001900, AB0043272, TR-029900, ST24034238, Z1177, A-3891, 3-[(2,5-dimethylphenyl)carbamoyl]phenylboronic acid, I01-10641, 3-(2,5-DIMETHYLPHENYLAMINOCARBONYL)PHENYLBORONIC ACID, 3- phenylboronicacid, C15H16BNO3, ACN-042707,

Complexity	337
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	P264-P271-P302+P352-P305+P351+P338-P362-P403+P233-P501
UN Code

Certificate of Analysis

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