AG004KCA

874460-03-4 | 4-(3-Chloropropylcarbamoyl)phenylboronic acid

AG004KCA

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CAS Number	874460-03-4
Catalog Number	AG004KCA(AGN-PC-0VDRNC)
Chemical Name	4-(3-Chloropropylcarbamoyl)phenylboronic acid
IUPAC Name	[4-(3-chloropropylcarbamoyl)phenyl]boronic acid
InChI	InChI=1S/C10H13BClNO3/c12-6-1-7-13-10(14)8-2-4-9(5-3-8)11(15)16/h2-5,15-16H,1,6-7H2,(H,13,14)
InChI Key	UYNOFJBHOAQAKS-UHFFFAOYSA-N
MDL Number	MFCD08235077
Molecular Formula	C10H13BClNO3
Molecular Weight	241.4791
SMILES	O=C(C1=CC=C(B(O)O)C=C1)NCCCCl
Synonyms	874460-03-4, (4-((3-Chloropropyl)carbamoyl)phenyl)boronic acid, 4-(3-Chloropropylcarbamoyl)phenylboronic acid, {4-[(3-Chloropropyl)carbamoyl]phenyl}boronic acid, Boronic acid,B-[4-[[(3-chloropropyl)amino]carbonyl]phenyl]-, ACMC-209qni, 4-(3-Chloropropylcarbamoyl)benzeneboronic acid, SCHEMBL15331573, CTK5F8466, DTXSID50657447, ZX-AT010073, ANW-38812, MFCD08235077, OR9470, AKOS015850608, ZINC169745107, RTR-027488, AX8231437, TR-027488, V8506, B-5675, 4-[(3-chloropropyl)carbamoyl]phenylboronic acid, I04-2605, C10H13BClNO3, ACN-042660, (4-((3-Chloropropyl)carbamoyl)phenyl)boronicacid,

Complexity	220
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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