AG004KM8

871332-74-0 | 4-Chloro-3-(isopropylcarbamoyl)phenylboronic acid

AG004KM8

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CAS Number	871332-74-0
Catalog Number	AG004KM8(AGN-PC-0VB2C6)
Chemical Name	4-Chloro-3-(isopropylcarbamoyl)phenylboronic acid
IUPAC Name	[4-chloro-3-(propan-2-ylcarbamoyl)phenyl]boronic acid
InChI	InChI=1S/C10H13BClNO3/c1-6(2)13-10(14)8-5-7(11(15)16)3-4-9(8)12/h3-6,15-16H,1-2H3,(H,13,14)
InChI Key	NKQOXEAGRQNWHG-UHFFFAOYSA-N
MDL Number	MFCD07783866
Molecular Formula	C10H13BClNO3
Molecular Weight	241.4791
SMILES	CC(C)NC(=O)C1=C(Cl)C=CC(=C1)B(O)O
Synonyms	871332-74-0, 4-Chloro-3-(isopropylcarbamoyl)phenylboronic acid, (4-Chloro-3-(isopropylcarbamoyl)phenyl)boronic acid, {4-Chloro-3-[(propan-2-yl)carbamoyl]phenyl}boronic acid, ACMC-209qh4, KSC657S4L, CTK5F7945, DTXSID90661225, KS-000011HJ, ANW-38582, MFCD07783866, AKOS015849980, ZINC169745480, AM87299, RTR-027246, AK-36631, AS-55784, BC001594, OR360290, AX8158596, TR-027246, ST24034656, X1419, B-4254, I04-2482, Boronic acid,B-[4-chloro-3-[[(1-methylethyl)amino]carbonyl]phenyl]-, C10H13BClNO3, 4-CHLORO-3- PHENYLBORONICACID, ACN-042644, N-Isopropyl 5-borono-2-chlorobenzamide, 4-Chloro-3-(isopropylcarbamoyl)benzeneboronic acid, [4-chloro-3-(propan-2-ylcarbamoyl)phenyl]boronic acid,

Complexity	250
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	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

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