AG003BQ6

871332-72-8 | 4-Chloro-3-(t-butylcarbamoyl)phenylboronic acid

AG003BQ6

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CAS Number	871332-72-8
Catalog Number	AG003BQ6(AGN-PC-079T66)
Chemical Name	4-Chloro-3-(t-butylcarbamoyl)phenylboronic acid
IUPAC Name	[3-(tert-butylcarbamoyl)-4-chlorophenyl]boronic acid
InChI	InChI=1S/C11H15BClNO3/c1-11(2,3)14-10(15)8-6-7(12(16)17)4-5-9(8)13/h4-6,16-17H,1-3H3,(H,14,15)
InChI Key	IKECDENKFPRPDM-UHFFFAOYSA-N
MDL Number	MFCD07783864
Molecular Formula	C11H15BClNO3
Molecular Weight	255.5057
SMILES	ClC1=CC=C(B(O)O)C=C1C(NC(C)(C)C)=O
Synonyms	871332-72-8, (3-(tert-Butylcarbamoyl)-4-chlorophenyl)boronic acid, 4-Chloro-3-(t-butylcarbamoyl)phenylboronic acid, 4-Chloro-3-(tert-butylcarbamoyl)phenylboronic acid, [3-(tert-butylcarbamoyl)-4-chlorophenyl]boronic acid, ACMC-209qh2, 4-Chloro-3-(tert-butylcarbamoyl)benzeneboronic acid, CTK5F7943, DTXSID70661223, ANW-38580, AKOS015849968, ZINC169745099, AM87297, RTR-027244, N-tert-Butyl 5-borono-2-chlorobenzamide, OR360077, AX8158594, TR-027244, ST24026209, V8364, B-4387, I04-2481, Boronic acid,B-[4-chloro-3-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]-, C11H15BClNO3, 4-CHLORO-3- PHENYLBORONICACID, ACN-042624,

Complexity	280
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.083g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	255.505g/mol
Monoisotopic Mass	255.083g/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

Lot Number