AG004TVC

871332-94-4 | 4-Chloro-3-(n-butylaminocarbonyl)phenylboronic acid

AG004TVC

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CAS Number	871332-94-4
Catalog Number	AG004TVC(AGN-PC-0VB2L1)
Chemical Name	4-Chloro-3-(n-butylaminocarbonyl)phenylboronic acid
IUPAC Name	[3-(butylcarbamoyl)-4-chlorophenyl]boronic acid
InChI	InChI=1S/C11H15BClNO3/c1-2-3-6-14-11(15)9-7-8(12(16)17)4-5-10(9)13/h4-5,7,16-17H,2-3,6H2,1H3,(H,14,15)
InChI Key	PAXNXDXMDDBNJD-UHFFFAOYSA-N
MDL Number	MFCD07783886
Molecular Formula	C11H15BClNO3
Molecular Weight	255.5057
SMILES	ClC1=CC=C(B(O)O)C=C1C(NCCCC)=O
Synonyms	871332-94-4, (3-(Butylcarbamoyl)-4-chlorophenyl)boronic acid, 4-Chloro-3-(n-butylaminocarbonyl)phenylboronic acid, [3-(butylcarbamoyl)-4-chlorophenyl]boronic acid, ACMC-209qhn, CTK5F7963, DTXSID40661235, ANW-38601, AKOS015849956, ZINC169745425, RTR-027266, OR360066, AX8231259, TR-027266, ST24020330, V8383, B-4402, I04-2478, Boronic acid,B-[3-[(butylamino)carbonyl]-4-chlorophenyl]-, C11H15BClNO3, 4-CHLORO-3- PHENYLBORONICACID, ACN-042656, (3-(Butylcarbamoyl)-4-chlorophenyl)boronicacid,

Complexity	253
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	5
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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number