AG004MVP

874288-10-5 | N-(3-Chloropropyl) 3-boronobenzamide

AG004MVP

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CAS Number	874288-10-5
Catalog Number	AG004MVP(AGN-PC-0VDJIC)
Chemical Name	N-(3-Chloropropyl) 3-boronobenzamide
IUPAC Name	[3-(3-chloropropylcarbamoyl)phenyl]boronic acid
InChI	InChI=1S/C10H13BClNO3/c12-5-2-6-13-10(14)8-3-1-4-9(7-8)11(15)16/h1,3-4,7,15-16H,2,5-6H2,(H,13,14)
InChI Key	VTJIILRCPRVUHJ-UHFFFAOYSA-N
MDL Number	MFCD08436014
Molecular Formula	C10H13BClNO3
Molecular Weight	241.4791
SMILES	O=C(C1=CC(B(O)O)=CC=C1)NCCCCl
Synonyms	874288-10-5, (3-((3-Chloropropyl)carbamoyl)phenyl)boronic acid, N-(3-Chloropropyl) 3-boronobenzamide, {3-[(3-Chloropropyl)carbamoyl]phenyl}boronic acid, Boronic acid,B-[3-[[(3-chloropropyl)amino]carbonyl]phenyl]-, ACMC-209qlt, 3-(3-Chloropropylcarbamoyl)benzeneboronic acid, SCHEMBL2555189, CTK5F8398, DTXSID80657450, ZX-AT010076, ANW-38751, MFCD08436014, OR9539, AKOS015833627, N-(3-Chloropropyl)-3-boronobenzamide, ZINC169745319, RTR-027409, AX8231436, TR-027409, V8450, B-5571, 3-[(3-chloropropyl)carbamoyl]phenylboronic acid, I01-10651, C10H13BClNO3, 3- BENZENEBORONICACID, ACN-042659, (3-((3-Chloropropyl)carbamoyl)phenyl)boronicacid,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.068g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	241.478g/mol
Monoisotopic Mass	241.068g/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	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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