AG000O2D

1256346-35-6 | Boronic acid, B-[4-chloro-3-(1-methylethoxy)phenyl]-

AG000O2D

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CAS Number	1256346-35-6
Catalog Number	AG000O2D(AGN-PC-0WAA96)
Chemical Name	Boronic acid, B-[4-chloro-3-(1-methylethoxy)phenyl]-
IUPAC Name	(4-chloro-3-propan-2-yloxyphenyl)boronic acid
InChI	InChI=1S/C9H12BClO3/c1-6(2)14-9-5-7(10(12)13)3-4-8(9)11/h3-6,12-13H,1-2H3
InChI Key	PGZPHNQXYVBXAQ-UHFFFAOYSA-N
MDL Number	MFCD17015746
Molecular Formula	C9H12BClO3
Molecular Weight	214.4538
SMILES	c1(c(ccc(c1)B(O)O)Cl)OC(C)C
Synonyms	1256346-35-6, (4-Chloro-3-isopropoxyphenyl)boronic acid, 4-CHLORO-3-ISOPROPOXYPHENYLBORONIC ACID, AK-85141, ACMC-209ax8, CTK4B4549, DTXSID00681671, ANW-18426, MFCD17015746, AKOS015850001, ZINC169748016, ACN-046540, FCH1351948, DS-18074, OR360522, SY104681, AX8236156, TR-035206, ST24034660, X1872, MFCD17015746 (95%), B-2461, {4-Chloro-3-[(propan-2-yl)oxy]phenyl}boronic acid, I04-2488, Boronic acid, B-[4-chloro-3-(1-methylethoxy)phenyl]-, C9H12BClO3, (4-Chloro-3-isopropoxyphenyl)boronicacid,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.057g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	214.452g/mol
Monoisotopic Mass	214.057g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	49.7A^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-P305+P351+P338
UN Code

Certificate of Analysis

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