AG00E8SE

625470-96-4 | 3-[(Benzylamino)carbonyl]phenylboronic acid

AG00E8SE

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CAS Number	625470-96-4
Catalog Number	AG00E8SE(AGN-PC-0KRDRX)
Chemical Name	3-[(Benzylamino)carbonyl]phenylboronic acid
IUPAC Name	[3-(benzylcarbamoyl)phenyl]boronic acid
InChI	InChI=1S/C14H14BNO3/c17-14(16-10-11-5-2-1-3-6-11)12-7-4-8-13(9-12)15(18)19/h1-9,18-19H,10H2,(H,16,17)
InChI Key	OBCLAQJSSJOSFL-UHFFFAOYSA-N
MDL Number	MFCD04115688
Molecular Formula	C14H14BNO3
Molecular Weight	255.0769
SMILES	OB(O)C1=CC(C(NCC2=CC=CC=C2)=O)=CC=C1
Synonyms	625470-96-4, (3-(Benzylcarbamoyl)phenyl)boronic acid, 3-(N-BENZYLAMINOCARBONYL)PHENYLBORONIC ACID, 3-(benzylcarbamoyl)phenylboronic acid, 3-[(Benzylamino)carbonyl]phenylboronic acid, [3-(benzylcarbamoyl)phenyl]boronic Acid, 3-(N-Benzylaminocarbonyl)benzeneboronic acid, Boronic acid,B-[3-[[(phenylmethyl)amino]carbonyl]phenyl]-, PubChem6406, AC1MMJLV, ACMC-1BC3L, SCHEMBL177584, CTK5B5285, DTXSID80390774, ANW-34255, MFCD04115688, AKOS015839368, ZINC169745331, AB20402, AM87850, RTR-021509, AN-27801, BC002012, BP-11438, DB-023631, TR-021509, FT-0732969, ST24034256, X0907, A-9280, 3-[(Benzylamino)carbonyl]phenylboronic acid, AldrichCPR, C14H14BNO3, N-BENZYL 3-BORONOBENZAMIDE, 3-(Benzylcarbamoyl)benzeneboronic acid, ACN-042580, CID3262053, [3-(N-Benzylaminocarbonyl)phenyl]boronic acid, (3-PHENYLAMINOCARBONYLPHENYL)BORONIC ACID, 397843-71-9,

Complexity	292
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.107g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	255.08g/mol
Monoisotopic Mass	255.107g/mol
Rotatable Bond Count	4
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	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number